3-[2-methyl-5-[2-(3-methylphenyl)-1-(3-sulfopropyl)benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-methyl-5-[2-(3-methylphenyl)-1-(3-sulfopropyl)benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-methyl-5-[2-(m-tolyl)-1-(3-sulfopropyl)benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-methyl-5-[2-(3-methylphenyl)-1-(3-sulfopropyl)-5-benzimidazolyl]-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-methyl-5-[2-(3-methylphenyl)-1-(3-sulfopropyl)benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-methyl-5-[2-(m-tolyl)-1-(3-sulfopropyl)benzimidazol-5-yl]benzimidazol-1-yl]propane-1-sulfonic acid Formula: C28H30N4O6S2 MolecularWeight: 582.691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2CCCS(=O)(=O)O)C=CC(=C3)C4=CC5=C(C=C4)N(C(=N5)C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2CCCS(=O)(=O)O)C=CC(=C3)C4=CC5=C(C=C4)N(C(=N5)C)CCCS(=O)(=O)O

InChI

InChI=1S/C28H30N4O6S2/c1-19-6-3-7-23(16-19)28-30-25-18-22(9-11-27(25)32(28)13-5-15-40(36,37)38)21-8-10-26-24(17-21)29-20(2)31(26)12-4-14-39(33,34)35/h3,6-11,16-18H,4-5,12-15H2,1-2H3,(H,33,34,35)(H,36,37,38)