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Substance Name: Indomonocarbocyanine
RN: 50354-01-3
InChIKey: ZXICIFDEGMIMJY-UHFFFAOYSA-N

Molecular Formula

  • C31-H40-N2-O6-S2

Molecular Weight

  • 600.797
 
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Names and Synonyms

Name of Substance

  • Indomonocarbocyanine

Systematic Name

  • 3H-Indolium, 2-(3-(1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 50354-01-3

System Generated Number

  • 0050354013

Structure Descriptors

InChI

1S/C31H40N2O6S2/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39)

InChIKey

ZXICIFDEGMIMJY-UHFFFAOYSA-N

Smiles

CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCCS(=O)(=O)O)(C)C)CCCCS(=O)(=O)[O-])C