2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-octadecyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indol-1-ium perchlorate

Compound number:
MolPort-001-639-759
CAS number: 127274-91-3
IUPAC:
2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-octadecyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indol-1-ium perchlorate
IUPAC traditional:
2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-octadecylindol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-octadecylindol-1-ium perchlorate
SMILES:
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:29|
InChI key:
ZQSBJPAQPRVNHU-UHFFFAOYSA-M
Molecular formula:
C61H99ClN2O4
Molecular weight: 959.92

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >95%
Last updated: this month In warehouse: Unverified
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25 mg August 29, 2019 127.44 USD
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S&H to USA: 50.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
5 mg September 19, 2019 90.86 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-639-759
CAS number: 127274-91-3

Names, Synonyms and 3rd Party Identifiers
2-(1E,3E)-5-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate
DiD perchlorate

InChI
InChI: 1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI key: ZQSBJPAQPRVNHU-UHFFFAOYSA-M

Calculated Properties
Molecular formula: C61H99ClN2O4
Molecular weight: 959.92

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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