4-[[3-methyl-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate

Systemtic Name: 4-[[3-methyl-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Openeye Name: 4-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate CAS Name: 4-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)-4-pyrazolyl]azo]benzoate IUPAC Name: 4-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Traditional Name: 4-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate Formula: C17H11N4O6S-3 MolecularWeight: 399.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC=C(C=C2)C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC=C(C=C2)C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-10-15(19-18-12-4-2-11(3-5-12)17(23)24)16(22)21(20-10)13-6-8-14(9-7-13)28(25,26)27/h2-9,22H,1H3,(H,23,24)(H,25,26,27)/p-3