sodium 3-benzamido-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazole-4-sulfonate

Systemtic Name: sodium 3-benzamido-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazole-4-sulfonate Openeye Name: sodium 3-benzamido-4-hydroxy-5-oxo-1-phenyl-pyrazole-4-sulfonate CAS Name: sodium 3-benzamido-4-hydroxy-5-oxo-1-phenyl-4-pyrazolesulfonate IUPAC Name: sodium 3-benzamido-4-hydroxy-5-oxo-1-phenylpyrazole-4-sulfonate Traditional Name: sodium 3-benzamido-4-hydroxy-5-keto-1-phenyl-2-pyrazoline-4-sulfonate Formula: C16H12N3NaO6S MolecularWeight: 397.33775

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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.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(O)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H13N3O6S.Na/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);/q;+1/p-1