3-[(4E)-4-[(4-azanyl-3-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-[(4E)-4-[(4-azanyl-3-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-benzenesulfonic acid Openeye Name: 3-[(4E)-4-[(4-amino-3-sulfo-phenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-benzenesulfonic acid CAS Name: 3-[(4E)-4-[(4-amino-3-sulfophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[(4E)-4-[(4-amino-3-sulfophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methylbenzenesulfonic acid Traditional Name: 3-[(4E)-4-[(4-amino-3-sulfo-phenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-besylic acid Formula: C17H17N5O7S2 MolecularWeight: 467.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)N2C(=O)C(=NNC3=CC(=C(C=C3)N)S(=O)(=O)O)C(=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)N2C(=O)/C(=N/NC3=CC(=C(C=C3)N)S(=O)(=O)O)/C(=N2)C

InChI

InChI=1S/C17H17N5O7S2/c1-9-3-5-12(30(24,25)26)8-14(9)22-17(23)16(10(2)21-22)20-19-11-4-6-13(18)15(7-11)31(27,28)29/h3-8,19H,18H2,1-2H3,(H,24,25,26)(H,27,28,29)/b20-16+