4-methoxy-5-[(2Z)-2-[1-[(2-methoxy-4-nitro-5-sulfonato-phenyl)diazenyl]-2-oxidanylidene-2-phenylazanyl-ethylidene]hydrazinyl]-2-nitro-benzenesulfonate

Systemtic Name: 4-methoxy-5-[(2Z)-2-[1-[(2-methoxy-4-nitro-5-sulfonato-phenyl)diazenyl]-2-oxidanylidene-2-phenylazanyl-ethylidene]hydrazinyl]-2-nitro-benzenesulfonate Openeye Name: 5-[(2Z)-2-[2-anilino-1-(2-methoxy-4-nitro-5-sulfonato-phenyl)azo-2-oxo-ethylidene]hydrazino]-4-methoxy-2-nitro-benzenesulfonate CAS Name: 5-[(2Z)-2-[2-anilino-1-(2-methoxy-4-nitro-5-sulfonatophenyl)azo-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate IUPAC Name: 5-[(2Z)-2-[2-anilino-1-[(2-methoxy-4-nitro-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate Traditional Name: 5-[(N'Z)-N'-[2-anilino-2-keto-1-(2-methoxy-4-nitro-5-sulfonato-phenyl)azo-ethylidene]hydrazino]-4-methoxy-2-nitro-besylate Formula: C22H17N7O13S2-2 MolecularWeight: 651.53948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NN=C(C(=O)NC2=CC=CC=C2)N=NC3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1N/N=C(/C(=O)NC2=CC=CC=C2)\N=NC3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O13S2/c1-41-17-10-15(28(31)32)19(43(35,36)37)8-13(17)24-26-21(22(30)23-12-6-4-3-5-7-12)27-25-14-9-20(44(38,39)40)16(29(33)34)11-18(14)42-2/h3-11,24H,1-2H3,(H,23,30)(H,35,36,37)(H,38,39,40)/p-2/b26-21-,27-25?