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

Systemtic Name: methyl-[4-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-1-benzofuran-2-yl)-(3-sulfopropyl)azanium Openeye Name: methyl-[4-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-benzofuran-2-yl)-(3-sulfopropyl)ammonium CAS Name: methyl-[4-(3-methylene-1-cyclohexa-1,4-dienyl)phenyl]-(4-methyl-3-sulfo-2-benzofuranyl)-(3-sulfopropyl)ammonium IUPAC Name: methyl-[4-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-1-benzofuran-2-yl)-(3-sulfopropyl)azanium Traditional Name: methyl-[4-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]-(4-methyl-3-sulfo-benzofuran-2-yl)-(3-sulfopropyl)ammonium Formula: C26H28NO7S2+ MolecularWeight: 530.63302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=C2S(=O)(=O)O)[N+](C)(CCCS(=O)(=O)O)C3=CC=C(C=C3)C4=CC(=C)C=CC4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=C2S(=O)(=O)O)[N+](C)(CCCS(=O)(=O)O)C3=CC=C(C=C3)C4=CC(=C)C=CC4

InChI

InChI=1S/C26H27NO7S2/c1-18-7-4-9-21(17-18)20-11-13-22(14-12-20)27(3,15-6-16-35(28,29)30)26-25(36(31,32)33)24-19(2)8-5-10-23(24)34-26/h4-5,7-8,10-14,17H,1,6,9,15-16H2,2-3H3,(H-,28,29,30,31,32,33)/p+1