2-(2-methoxy-3-naphthalen-1-yl-phenyl)-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-methoxy-3-naphthalen-1-yl-phenyl)-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 9-hydroxy-2-[2-methoxy-3-(1-naphthyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 9-hydroxy-2-[2-methoxy-3-(1-naphthalenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 9-hydroxy-2-(2-methoxy-3-naphthalen-1-ylphenyl)-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 9-hydroxy-2-[2-methoxy-3-(1-naphthyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2=NC3=C4C(=C(C=C3N2)S(=O)(=O)O)C=CC=C4O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

COC1=C(C=CC=C1C2=NC3=C4C(=C(C=C3N2)S(=O)(=O)O)C=CC=C4O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H20N2O5S/c1-35-27-19(18-10-4-8-16-7-2-3-9-17(16)18)11-5-13-21(27)28-29-22-15-24(36(32,33)34)20-12-6-14-23(31)25(20)26(22)30-28/h2-15,31H,1H3,(H,29,30)(H,32,33,34)