4-chloranyl-3-[3-methyl-5-oxidanylidene-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-[3-methyl-5-oxidanylidene-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-chloro-3-[3-methyl-5-oxo-4-[(4-sulfophenyl)hydrazono]pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-chloro-3-[3-methyl-5-oxo-4-[(4-sulfophenyl)hydrazinylidene]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-chloro-3-[3-methyl-5-oxo-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-chloro-3-[5-keto-3-methyl-4-[(4-sulfophenyl)hydrazono]-2-pyrazolin-1-yl]besylic acid Formula: C16H13ClN4O7S2 MolecularWeight: 472.88002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H13ClN4O7S2/c1-9-15(19-18-10-2-4-11(5-3-10)29(23,24)25)16(22)21(20-9)14-8-12(30(26,27)28)6-7-13(14)17/h2-8,18H,1H3,(H,23,24,25)(H,26,27,28)