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

Systemtic Name: 5-azanyl-2-[(E)-2-[4-[(4-methoxyphenyl)diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-[4-(4-methoxyphenyl)azo-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-[4-(4-methoxyphenyl)azo-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-[4-[(4-methoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-[4-(4-methoxyphenyl)azo-2-sulfo-phenyl]vinyl]besylic acid Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H19N3O7S2/c1-31-19-10-8-17(9-11-19)23-24-18-7-5-15(21(13-18)33(28,29)30)3-2-14-4-6-16(22)12-20(14)32(25,26)27/h2-13H,22H2,1H3,(H,25,26,27)(H,28,29,30)/b3-2+,24-23?