6-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]hexa-2,4-dienylidene-ethanoyl-phenyl-azanium

Systemtic Name: 6-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]hexa-2,4-dienylidene-ethanoyl-phenyl-azanium Openeye Name: acetyl-[6-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]hexa-2,4-dienylidene]-phenyl-ammonium CAS Name: acetyl-[6-[1,1-dimethyl-3-(4-sulfobutyl)-2-benzo[e]indolylidene]hexa-2,4-dienylidene]-phenylammonium IUPAC Name: acetyl-[6-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]hexa-2,4-dienylidene]-phenylazanium Traditional Name: acetyl-[6-[1,1-dimethyl-3-(4-sulfobutyl)benz[e]indol-2-ylidene]hexa-2,4-dienylidene]-phenyl-ammonium Formula: C32H35N2O4S+ MolecularWeight: 543.6963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](=CC=CC=CC=C1C(C2=C(N1CCCCS(=O)(=O)O)C=CC3=CC=CC=C32)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)[N+](=CC=CC=CC=C1C(C2=C(N1CCCCS(=O)(=O)O)C=CC3=CC=CC=C32)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C32H34N2O4S/c1-25(35)33(27-16-7-6-8-17-27)22-12-5-4-9-19-30-32(2,3)31-28-18-11-10-15-26(28)20-21-29(31)34(30)23-13-14-24-39(36,37)38/h4-12,15-22H,13-14,23-24H2,1-3H3/p+1