methyl-[4-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-thiophen-2-yl)-(3-sulfopropyl)azanium

Systemtic Name: methyl-[4-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-thiophen-2-yl)-(3-sulfopropyl)azanium Openeye Name: methyl-[4-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-2-thienyl)-(3-sulfopropyl)ammonium CAS Name: methyl-[4-(3-methylene-1-cyclohexa-1,4-dienyl)phenyl]-(4-methyl-3-sulfo-2-thiophenyl)-(3-sulfopropyl)ammonium IUPAC Name: methyl-[4-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfothiophen-2-yl)-(3-sulfopropyl)azanium Traditional Name: methyl-[4-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-2-thienyl)-(3-sulfopropyl)ammonium Formula: C22H26NO6S3+ MolecularWeight: 496.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1S(=O)(=O)O)[N+](C)(CCCS(=O)(=O)O)C2=CC=C(C=C2)C3=CC(=C)C=CC3

Isomeric SMILES

CC1=CSC(=C1S(=O)(=O)O)[N+](C)(CCCS(=O)(=O)O)C2=CC=C(C=C2)C3=CC(=C)C=CC3

InChI

InChI=1S/C22H25NO6S3/c1-16-6-4-7-19(14-16)18-8-10-20(11-9-18)23(3,12-5-13-31(24,25)26)22-21(32(27,28)29)17(2)15-30-22/h4,6,8-11,14-15H,1,5,7,12-13H2,2-3H3,(H-,24,25,26,27,28,29)/p+1