2,5-bis(chloranyl)-4-[(4E)-3-methyl-5-oxidanylidene-4-[(3-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-[(4E)-3-methyl-5-oxidanylidene-4-[(3-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[(4E)-3-methyl-5-oxo-4-[(3-sulfophenyl)hydrazono]pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[(4E)-3-methyl-5-oxo-4-[(3-sulfophenyl)hydrazinylidene]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[(4E)-3-methyl-5-oxo-4-[(3-sulfophenyl)hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[(4E)-5-keto-3-methyl-4-[(3-sulfophenyl)hydrazono]-2-pyrazolin-1-yl]besylic acid Formula: C16H12Cl2N4O7S2 MolecularWeight: 507.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-3-2-4-10(5-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,19H,1H3,(H,24,25,26)(H,27,28,29)/b20-15+