4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]butane-1-sulfonic acid CAS Name: 4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2-benzimidazolylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]-1-butanesulfonic acid IUPAC Name: 4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[3-methyl-2-[3-[1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)-2H-benzimidazol-1-yl]butane-1-sulfonic acid Formula: C29H34F6N4O6S2 MolecularWeight: 712.723879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=C1C=CC(=C2)C(F)(F)F)CCCCS(=O)(=O)O)C=CC=C3N(C4=C(N3CCCCS(=O)(=O)O)C=C(C=C4)C(F)(F)F)C

Isomeric SMILES

CN1C(N(C2=C1C=CC(=C2)C(F)(F)F)CCCCS(=O)(=O)O)C=CC=C3N(C4=C(N3CCCCS(=O)(=O)O)C=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C29H34F6N4O6S2/c1-36-22-12-10-20(28(30,31)32)18-24(22)38(14-3-5-16-46(40,41)42)26(36)8-7-9-27-37(2)23-13-11-21(29(33,34)35)19-25(23)39(27)15-4-6-17-47(43,44)45/h7-13,18-19,26H,3-6,14-17H2,1-2H3,(H,40,41,42)(H,43,44,45)