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

Systemtic Name: 5-chloranyl-3-[[3-methyl-5-oxidanidyl-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidanidyl-benzenesulfonate; chromium(3+); methane Openeye Name: chromic; 5-chloro-3-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-2-oxido-benzenesulfonate; methane CAS Name: 5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)-4-pyrazolyl]azo]-2-oxidobenzenesulfonate; chromium(3+); methane IUPAC Name: 5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate; chromium(3+); methane Traditional Name: chromic; 5-chloro-3-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-2-oxido-besylate; methane Formula: C17H13ClCrN4O8S2- MolecularWeight: 552.88622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O8S2.CH4.Cr/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,22-23H,1H3,(H,24,25,26)(H,27,28,29);1H4;/q;;+3/p-4