disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(1E,4E)-4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzene-1-sulfonate

Compound number:
MolPort-003-933-133
CAS number: 2353-45-9
IUPAC:
disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(1E,4E)-4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzene-1-sulfonate
IUPAC traditional:
disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(1E,4E)-4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate
SMILES:
[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(O)cc1S([O-])(=O)=O |c:24,27,(.22,-8.74,;15.54,-21.04,;8.73,-17.59,;10.06,-16.82,;10.06,-15.28,;11.39,-14.52,;12.72,-15.28,;14.05,-14.51,;15.38,-15.28,;15.38,-16.82,;14.05,-17.59,;12.72,-16.82,;14.05,-19.13,;14.03,-20.87,;15.59,-19.13,;12.51,-19.13,;8.73,-14.52,;7.39,-15.29,;6.06,-14.52,;6.06,-12.98,;7.39,-12.21,;8.73,-12.98,;4.73,-12.21,;4.73,-10.03,;6.07,-9.26,;6.07,-7.72,;4.73,-6.95,;3.4,-7.72,;3.4,-9.26,;4.73,-5.42,;3.4,-4.65,;2.07,-5.42,;6.06,-4.65,;7.39,-5.42,;7.39,-6.96,;8.72,-7.73,;10.06,-6.96,;10.06,-5.42,;8.72,-4.65,;11.39,-4.65,;12.93,-4.65,;11.39,-3.12,;11.39,-6.19,;3.4,-12.98,;3.4,-14.52,;2.07,-15.29,;.74,-14.52,;-.59,-15.28,;.74,-12.98,;2.07,-12.21,;2.07,-10.67,;2.03,-8.86,;3.61,-10.67,;.53,-10.67,)|
InChI key:
RZSYLLSAWYUBPE-UHFFFAOYSA-L
Molecular formula:
C37H34N2Na2O10S3
Molecular weight: 808.84

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
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Catalog: Screening compound Ships out: 20 business days Purity: n/a
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5 g June 18, 2019 44.84 USD
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10 g June 18, 2019 84.96 USD
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25 g June 18, 2019 177.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: n/a
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5 g June 4, 2019 40.00 USD
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10 g June 4, 2019 65.00 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 95.00%
Last updated: last month In warehouse: 950.00 g
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5 g May 23, 2019 20.00 USD
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25 g May 23, 2019 70.00 USD
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100 g May 23, 2019 240.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: >85.0%(HPLC)(E)
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1 g June 4, 2019 39.00 USD
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5 g June 4, 2019 68.00 USD
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10 g June 4, 2019 78.00 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: ≥ 96% (HPLC)
Last updated: 3 months ago In warehouse: Unverified
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5 g June 4, 2019 74.00 USD
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25 g June 4, 2019 123.00 USD
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100 g June 4, 2019 261.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-933-133
CAS number: 2353-45-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000095548589
ZINC000162537151
MFCD00013053
Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt,disodium salt
Fast green FCF
Fast Green FCF (Technical Grade)
Food green 3FD&C Green No. 3C.I. 42053
N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-benzenemethanaminium, disodium salt

InChI
InChI: 1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2
InChI key: RZSYLLSAWYUBPE-UHFFFAOYSA-L

Calculated Properties
Molecular formula: C37H34N2Na2O10S3
Molecular weight: 808.84

Other

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2019 MolPort, v2.9, release date 16-05-2019 16:00 (+0200). All rights reserved.
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