4-chloranyl-2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-6-sulfo-benzoic acid

Systemtic Name: 4-chloranyl-2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-6-sulfo-benzoic acid Openeye Name: 4-chloro-2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]-6-sulfo-benzoic acid CAS Name: 4-chloro-2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]-6-sulfobenzoic acid IUPAC Name: 4-chloro-2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-6-sulfobenzoic acid Traditional Name: 4-chloro-2-[(N'Z)-N'-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]-6-sulfo-benzoic acid Formula: C17H13ClN4O9S2 MolecularWeight: 516.88952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC(=CC(=C2C(=O)O)S(=O)(=O)O)Cl)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC(=CC(=C2C(=O)O)S(=O)(=O)O)Cl)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H13ClN4O9S2/c1-8-15(16(23)22(21-8)10-2-4-11(5-3-10)32(26,27)28)20-19-12-6-9(18)7-13(33(29,30)31)14(12)17(24)25/h2-7,19H,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-15-