4-[[3-aminocarbonyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[3-aminocarbonyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[3-carbamoyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-[[3-carbamoyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-[[3-carbamoyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[3-carbamoyl-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]besylic acid Formula: C16H13N5O8S2 MolecularWeight: 467.43312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C16H13N5O8S2/c17-15(22)13-14(19-18-9-1-5-11(6-2-9)30(24,25)26)16(23)21(20-13)10-3-7-12(8-4-10)31(27,28)29/h1-8,14H,(H2,17,22)(H,24,25,26)(H,27,28,29)