disodium bis(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(2-sulfonatophenyl)methylium

Compound number:
MolPort-039-084-357
CAS number: 3844-45-9
IUPAC:
disodium bis(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(2-sulfonatophenyl)methylium
IUPAC traditional:
acid blue 9
SMILES:
[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccccc1S([O-])(=O)=O
InChI key:
SGHZXLIDFTYFHQ-UHFFFAOYSA-L
Molecular formula:
C37H34N2Na2O9S3
Molecular weight: 792.84

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 5 business days Purity: 50%
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1 g July 3, 2019 13.60 USD
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25 g July 3, 2019 25.84 USD
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250 g July 3, 2019 201.28 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-084-357
CAS number: 3844-45-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000094303198
MFCD00012141
Acid blue 9

InChI
InChI: 1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChI key: SGHZXLIDFTYFHQ-UHFFFAOYSA-L

Calculated Properties
Molecular formula: C37H34N2Na2O9S3
Molecular weight: 792.84

Other

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2019 MolPort, v3.03, release date 21-06-2019 17:00 (+0200). All rights reserved.
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