5-chloranyl-3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-2-oxidanidyl-benzenesulfonate; chromium(3+); hydron; hydroxide

Systemtic Name: 5-chloranyl-3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-2-oxidanidyl-benzenesulfonate; chromium(3+); hydron; hydroxide Openeye Name: chromic; 5-chloro-3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-2-oxido-benzenesulfonate; hydron; hydroxide CAS Name: 5-chloro-3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-2-oxidobenzenesulfonate; chromium(3+); hydron; hydroxide IUPAC Name: 5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate; chromium(3+); hydron; hydroxide Traditional Name: chromic; 5-chloro-3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-2-oxido-besylate; hydron; hydroxide Formula: C16H12ClCrN4O6S MolecularWeight: 475.80378

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])Cl)[O-])C3=CC=CC=C3.[OH-].[Cr+3]

Isomeric SMILES

[H+].CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])Cl)[O-])C3=CC=CC=C3.[OH-].[Cr+3]

InChI

InChI=1S/C16H13ClN4O5S.Cr.H2O/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;;/h2-8,22-23H,1H3,(H,24,25,26);;1H2/q;+3;/p-3