3H-Indolium, 2-[3-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt

CAS Registry Number®

146368-13-0
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CAS Name

3H-Indolium, 2-[3-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt

Molecular Formula

C31H38N2O8S2

Cite this Page

3H-Indolium, 2-[3-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146368-13-0 (retrieved 2024-08-19) (CAS RN: 146368-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H38N2O8S2/c1-6-32-25-16-14-21(42(36,37)38)19-23(25)30(2,3)27(32)11-10-12-28-31(4,5)24-20-22(43(39,40)41)15-17-26(24)33(28)18-9-7-8-13-29(34)35/h10-12,14-17,19-20H,6-9,13,18H2,1-5H3,(H2-,34,35,36,37,38,39,40,41)

InChIKey

InChIKey=YDNYBBRGPORVRT-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)N1C=2C(C(C)(C)C1=CC=CC3=[N+](CC)C=4C(C3(C)C)=CC(S(=O)(=O)[O-])=CC4)=CC(S(=O)(=O)O)=CC2

Canonical SMILES

O=C(O)CCCCCN1C2=CC=C(C=C2C(C1=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)[O-])CC)(C)C)S(=O)(=O)O

Other Names for this Substance

  • 3H-Indolium, 2-[3-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
  • 3H-Indolium, 2-[3-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propenyl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
  • Zy 3 carboxylic acid

Deleted or Replaced CAS Registry Numbers

182682-05-9, 235749-10-7, 666847-58-1, 1240125-28-3, 2055454-69-6