2-[2-methoxy-4-(3-nitrophenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid

Systemtic Name: 2-[2-methoxy-4-(3-nitrophenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-5-sulfonic acid Openeye Name: 9-hydroxy-2-[2-methoxy-4-(3-nitrophenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid CAS Name: 9-hydroxy-2-[2-methoxy-4-(3-nitrophenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid IUPAC Name: 9-hydroxy-2-[2-methoxy-4-(3-nitrophenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid Traditional Name: 9-hydroxy-2-[2-methoxy-4-(3-nitrophenyl)phenyl]-3H-benzo[e]benzimidazole-5-sulfonic acid Formula: C24H17N3O7S MolecularWeight: 491.47268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C5C(=C(C=C4N3)S(=O)(=O)O)C=CC=C5O

InChI

InChI=1S/C24H17N3O7S/c1-34-20-11-14(13-4-2-5-15(10-13)27(29)30)8-9-16(20)24-25-18-12-21(35(31,32)33)17-6-3-7-19(28)22(17)23(18)26-24/h2-12,28H,1H3,(H,25,26)(H,31,32,33)