2,5-bis(chloranyl)-4-[3-methyl-5-oxidanidyl-4-[(3-sulfonatophenyl)diazenyl]pyrazol-1-yl]benzenesulfonate

Systemtic Name: 2,5-bis(chloranyl)-4-[3-methyl-5-oxidanidyl-4-[(3-sulfonatophenyl)diazenyl]pyrazol-1-yl]benzenesulfonate Openeye Name: 2,5-dichloro-4-[3-methyl-5-oxido-4-(3-sulfonatophenyl)azo-pyrazol-1-yl]benzenesulfonate CAS Name: 2,5-dichloro-4-[3-methyl-5-oxido-4-(3-sulfonatophenyl)azo-1-pyrazolyl]benzenesulfonate IUPAC Name: 2,5-dichloro-4-[3-methyl-5-oxido-4-[(3-sulfonatophenyl)diazenyl]pyrazol-1-yl]benzenesulfonate Traditional Name: 2,5-dichloro-4-[3-methyl-5-oxido-4-(3-sulfonatophenyl)azo-pyrazol-1-yl]besylate Formula: C16H9Cl2N4O7S2-3 MolecularWeight: 504.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC(=CC=C2)S(=O)(=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/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/p-3