3-(phenylmethyl)-2-[4-[1-(phenylmethyl)-6-sulfo-benzimidazol-2-yl]phenyl]benzimidazole-5-sulfonic acid

Systemtic Name: 3-(phenylmethyl)-2-[4-[1-(phenylmethyl)-6-sulfo-benzimidazol-2-yl]phenyl]benzimidazole-5-sulfonic acid Openeye Name: 3-benzyl-2-[4-(1-benzyl-6-sulfo-benzimidazol-2-yl)phenyl]benzimidazole-5-sulfonic acid CAS Name: 3-(phenylmethyl)-2-[4-[1-(phenylmethyl)-6-sulfo-2-benzimidazolyl]phenyl]-5-benzimidazolesulfonic acid IUPAC Name: 3-benzyl-2-[4-(1-benzyl-6-sulfobenzimidazol-2-yl)phenyl]benzimidazole-5-sulfonic acid Traditional Name: 3-benzyl-2-[4-(1-benzyl-6-sulfo-benzimidazol-2-yl)phenyl]benzimidazole-5-sulfonic acid Formula: C34H26N4O6S2 MolecularWeight: 650.72344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)O)N=C2C4=CC=C(C=C4)C5=NC6=C(N5CC7=CC=CC=C7)C=C(C=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)O)N=C2C4=CC=C(C=C4)C5=NC6=C(N5CC7=CC=CC=C7)C=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C34H26N4O6S2/c39-45(40,41)27-15-17-29-31(19-27)37(21-23-7-3-1-4-8-23)33(35-29)25-11-13-26(14-12-25)34-36-30-18-16-28(46(42,43)44)20-32(30)38(34)22-24-9-5-2-6-10-24/h1-20H,21-22H2,(H,39,40,41)(H,42,43,44)