(4R)-3-benzamido-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazole-4-sulfonic acid

Systemtic Name: (4R)-3-benzamido-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazole-4-sulfonic acid Openeye Name: (4R)-3-benzamido-4-hydroxy-5-oxo-1-phenyl-pyrazole-4-sulfonic acid CAS Name: (4R)-3-benzamido-4-hydroxy-5-oxo-1-phenyl-4-pyrazolesulfonic acid IUPAC Name: (4R)-3-benzamido-4-hydroxy-5-oxo-1-phenylpyrazole-4-sulfonic acid Traditional Name: (4R)-3-benzamido-4-hydroxy-5-keto-1-phenyl-2-pyrazoline-4-sulfonic acid Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(O)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NN(C(=O)[C@]2(O)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O6S/c20-13(11-7-3-1-4-8-11)17-14-16(22,26(23,24)25)15(21)19(18-14)12-9-5-2-6-10-12/h1-10,22H,(H,17,18,20)(H,23,24,25)/t16-/m1/s1