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

Systemtic Name: 3-(phenylmethyl)-2-[5-[1-(phenylmethyl)-6-sulfo-benzimidazol-2-yl]furan-2-yl]benzimidazole-5-sulfonic acid Openeye Name: 3-benzyl-2-[5-(1-benzyl-6-sulfo-benzimidazol-2-yl)-2-furyl]benzimidazole-5-sulfonic acid CAS Name: 3-(phenylmethyl)-2-[5-[1-(phenylmethyl)-6-sulfo-2-benzimidazolyl]-2-furanyl]-5-benzimidazolesulfonic acid IUPAC Name: 3-benzyl-2-[5-(1-benzyl-6-sulfobenzimidazol-2-yl)furan-2-yl]benzimidazole-5-sulfonic acid Traditional Name: 3-benzyl-2-[5-(1-benzyl-6-sulfo-benzimidazol-2-yl)-2-furyl]benzimidazole-5-sulfonic acid Formula: C32H24N4O7S2 MolecularWeight: 640.68556

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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(O4)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(O4)C5=NC6=C(N5CC7=CC=CC=C7)C=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C32H24N4O7S2/c37-44(38,39)23-11-13-25-27(17-23)35(19-21-7-3-1-4-8-21)31(33-25)29-15-16-30(43-29)32-34-26-14-12-24(45(40,41)42)18-28(26)36(32)20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,37,38,39)(H,40,41,42)