2-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid

Systemtic Name: 2-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 2-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 2-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid IUPAC Name: 2-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Traditional Name: 2-[3-(3,4-dimethylbenzyl)oxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC2=CC=CC(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)COC2=CC=CC(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)C

InChI

InChI=1S/C26H22N2O5S/c1-15-6-7-17(10-16(15)2)14-33-20-5-3-4-19(11-20)26-27-22-9-8-18-12-21(34(30,31)32)13-23(29)24(18)25(22)28-26/h3-13,29H,14H2,1-2H3,(H,27,28)(H,30,31,32)