4-chloranyl-5-methyl-2-[[3-methyl-5-oxidanylidene-1-(3-sulfonatophenyl)-4H-pyrazol-2-ium-4-yl]diazenyl]benzenesulfonate

Systemtic Name: 4-chloranyl-5-methyl-2-[[3-methyl-5-oxidanylidene-1-(3-sulfonatophenyl)-4H-pyrazol-2-ium-4-yl]diazenyl]benzenesulfonate Openeye Name: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-2-ium-4-yl]azo]benzenesulfonate CAS Name: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-2-ium-4-yl]azo]benzenesulfonate IUPAC Name: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-2-ium-4-yl]diazenyl]benzenesulfonate Traditional Name: 4-chloro-2-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-2-pyrazolin-2-ium-4-yl]azo]-5-methyl-besylate Formula: C17H14ClN4O7S2- MolecularWeight: 485.89866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)N=NC2C(=[NH+]N(C2=O)C3=CC(=CC=C3)S(=O)(=O)[O-])C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N=NC2C(=[NH+]N(C2=O)C3=CC(=CC=C3)S(=O)(=O)[O-])C)S(=O)(=O)[O-]

InChI

InChI=1S/C17H15ClN4O7S2/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29)/p-1