sodium 3-[(3-aminocarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-benzenesulfonate

Systemtic Name: sodium 3-[(3-aminocarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-benzenesulfonate Openeye Name: sodium 3-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxy-benzenesulfonate CAS Name: sodium 3-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxybenzenesulfonate IUPAC Name: sodium 3-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxybenzenesulfonate Traditional Name: sodium 3-[(3-carbamoyl-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]-4-methoxy-besylate Formula: C17H14N5NaO6S MolecularWeight: 439.37773

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)N.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)N.[Na+]

InChI

InChI=1S/C17H15N5O6S.Na/c1-28-13-8-7-11(29(25,26)27)9-12(13)19-20-15-14(16(18)23)21-22(17(15)24)10-5-3-2-4-6-10;/h2-9,15H,1H3,(H2,18,23)(H,25,26,27);/q;+1/p-1