1-[(2-chloranyl-5-sulfo-phenyl)amino]-2-methyl-9-oxidanyl-benzo[e]benzimidazole-7-sulfonic acid

Systemtic Name: 1-[(2-chloranyl-5-sulfo-phenyl)amino]-2-methyl-9-oxidanyl-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 1-(2-chloro-5-sulfo-anilino)-9-hydroxy-2-methyl-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 1-(2-chloro-5-sulfoanilino)-9-hydroxy-2-methyl-7-benzo[e]benzimidazolesulfonic acid IUPAC Name: 1-(2-chloro-5-sulfoanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid Traditional Name: 1-(2-chloro-5-sulfo-anilino)-9-hydroxy-2-methyl-benzo[e]benzimidazole-7-sulfonic acid Formula: C18H14ClN3O7S2 MolecularWeight: 483.90266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1NC3=C(C=CC(=C3)S(=O)(=O)O)Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=NC2=C(N1NC3=C(C=CC(=C3)S(=O)(=O)O)Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C18H14ClN3O7S2/c1-9-20-14-5-2-10-6-12(31(27,28)29)8-16(23)17(10)18(14)22(9)21-15-7-11(30(24,25)26)3-4-13(15)19/h2-8,21,23H,1H3,(H,24,25,26)(H,27,28,29)