barium(2+); 2-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: barium(2+); 2-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Openeye Name: barium(2+); 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonate CAS Name: barium(2+); 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonate IUPAC Name: barium(2+); 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: barium(2+); 2-[[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonate Formula: C20H14BaN4O7S2 MolecularWeight: 623.80476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/C20H16N4O7S2.Ba/c1-12-18(20(25)24(23-12)14-7-9-15(10-8-14)32(26,27)28)22-21-17-11-6-13-4-2-3-5-16(13)19(17)33(29,30)31;/h2-11,18H,1H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2