3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner salt
CAS Registry Number®
154082-13-0
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CAS Name
3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner saltMolecular Formula
C32H38N2O12S4Cite this Page
3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=154082-13-0 (retrieved ) (CAS RN: 154082-13-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)
InChIKey
InChIKey=WKWHOLCUESSZIQ-UHFFFAOYSA-N
SMILES
C(CS(=O)(=O)O)N1C=2C(C(C)(C)C1=CC=CC(=CC=CC3=[N+](CCS(=O)(=O)[O-])C=4C(C3(C)C)=CC(S(=O)(=O)O)=CC4)C)=CC(S(=O)(=O)O)=CC2
Canonical SMILES
O=S(=O)(O)C1=CC=C2C(=C1)C(C(=CC=CC(=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)O)CCS(=O)(=O)[O-])C)N2CCS(=O)(=O)O)(C)C
Other Names for this Substance
- 3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner salt
- 3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrienyl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner salt
- Absorber Dye ADI
- Omocianine
- SF 64
Deleted or Replaced CAS Registry Numbers
952392-23-3
