barium(2+); 5-chloranyl-4-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonate

Systemtic Name: barium(2+); 5-chloranyl-4-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonate Openeye Name: barium(2+); 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonate CAS Name: barium(2+); 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonate IUPAC Name: barium(2+); 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonate Traditional Name: barium(2+); 5-chloro-2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4-methyl-besylate Formula: C34H28BaCl2N8O8S2 MolecularWeight: 948.99792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C.[Ba+2]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=CC=C3)C.[Ba+2]

InChI

InChI=1S/2C17H15ClN4O4S.Ba/c2*1-10-8-14(15(9-13(10)18)27(24,25)26)19-20-16-11(2)21-22(17(16)23)12-6-4-3-5-7-12;/h2*3-9,16H,1-2H3,(H,24,25,26);/q;;+2/p-2