5-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-(4-amino-5-methoxy-2-methyl-phenyl)azo-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-(4-amino-5-methoxy-2-methylphenyl)azo-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-(4-amino-5-methoxy-2-methyl-phenyl)azo-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid Formula: C22H20N4O9S2 MolecularWeight: 548.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)OC)N

InChI

InChI=1S/C22H20N4O9S2/c1-13-9-18(23)20(35-2)12-19(13)25-24-16-7-5-14(21(10-16)36(29,30)31)3-4-15-6-8-17(26(27)28)11-22(15)37(32,33)34/h3-12H,23H2,1-2H3,(H,29,30,31)(H,32,33,34)/b4-3+,25-24?