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 saltMolecular Formula
C31H38N2O8S2Cite 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 ) (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