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

Systemtic Name: 2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-5-sulfo-benzoic acid Openeye Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]-5-sulfo-benzoic acid CAS Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]-5-sulfobenzoic acid IUPAC Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-5-sulfobenzoic acid Traditional Name: 2-[(N'Z)-N'-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]-5-sulfo-benzoic acid Formula: C17H14N4O9S2 MolecularWeight: 482.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O9S2/c1-9-15(16(22)21(20-9)10-2-4-11(5-3-10)31(25,26)27)19-18-14-7-6-12(32(28,29)30)8-13(14)17(23)24/h2-8,18H,1H3,(H,23,24)(H,25,26,27)(H,28,29,30)/b19-15-