3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

CAS Registry Number®

644979-16-8
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CAS Name

3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

Molecular Formula

C35H44N2O5S

Cite this Page

3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=644979-16-8 (retrieved 2024-07-26) (CAS RN: 644979-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H44N2O5S/c1-34(2)27-17-10-12-19-29(27)36(24-14-6-9-23-33(38)39)31(34)21-7-5-8-22-32-35(3,4)28-18-11-13-20-30(28)37(32)25-15-16-26-43(40,41)42/h5,7-8,10-13,17-22H,6,9,14-16,23-26H2,1-4H3,(H-,38,39,40,41,42)

InChIKey

InChIKey=DLAZDWJBELMOFD-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)[O-])[N+]=1C=2C(C(C)(C)C1/C=C/C=C/C=C\3/N(CCCCCC(O)=O)C=4C(C3(C)C)=CC=CC4)=CC=CC2

Canonical SMILES

O=C(O)CCCCCN1C=2C=CC=CC2C(C1=CC=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)CCCCS(=O)(=O)[O-])(C)C

Other Names for this Substance

  • 3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt
  • 3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadienyl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt
  • S 0436