(8Z)-8-[(5-benzamido-2-sulfo-phenyl)hydrazinylidene]-1-[(2-chlorophenyl)amino]-9-oxidanylidene-2-pentyl-benzo[e]benzimidazole-7-sulfonic acid

Systemtic Name: (8Z)-8-[(5-benzamido-2-sulfo-phenyl)hydrazinylidene]-1-[(2-chlorophenyl)amino]-9-oxidanylidene-2-pentyl-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: (8Z)-8-[(5-benzamido-2-sulfo-phenyl)hydrazono]-1-(2-chloroanilino)-9-oxo-2-pentyl-benzo[e]benzimidazole-7-sulfonic acid CAS Name: (8Z)-8-[(5-benzamido-2-sulfophenyl)hydrazinylidene]-1-(2-chloroanilino)-9-oxo-2-pentyl-7-benzo[e]benzimidazolesulfonic acid IUPAC Name: (8Z)-8-[(5-benzamido-2-sulfophenyl)hydrazinylidene]-1-(2-chloroanilino)-9-oxo-2-pentylbenzo[e]benzimidazole-7-sulfonic acid Traditional Name: (8Z)-2-amyl-8-[(5-benzamido-2-sulfo-phenyl)hydrazono]-1-(2-chloroanilino)-9-keto-benzo[e]benzimidazole-7-sulfonic acid Formula: C35H31ClN6O8S2 MolecularWeight: 763.23904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C2)C=C(C(=NNC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6)S(=O)(=O)O)C4=O)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C2)C=C(/C(=N\NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6)S(=O)(=O)O)/C4=O)S(=O)(=O)O

InChI

InChI=1S/C35H31ClN6O8S2/c1-2-3-5-14-30-38-26-17-15-22-19-29(52(48,49)50)32(34(43)31(22)33(26)42(30)41-25-13-9-8-12-24(25)36)40-39-27-20-23(16-18-28(27)51(45,46)47)37-35(44)21-10-6-4-7-11-21/h4,6-13,15-20,39,41H,2-3,5,14H2,1H3,(H,37,44)(H,45,46,47)(H,48,49,50)/b40-32+