2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3,4-bis(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C29H22N6O3S MolecularWeight: 534.58838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)C

InChI

InChI=1S/C29H22N6O3S/c1-15-3-8-21-24(11-15)34-28(31-21)19-7-5-17(13-20(19)29-32-22-9-4-16(2)12-25(22)35-29)27-30-23-10-6-18(39(36,37)38)14-26(23)33-27/h3-14H,1-2H3,(H,30,33)(H,31,34)(H,32,35)(H,36,37,38)