sodium; 2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanidyl-pyrazol-4-yl]diazenyl]-5-sulfamoyl-benzoate; chromium(3+)

Systemtic Name: sodium; 2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanidyl-pyrazol-4-yl]diazenyl]-5-sulfamoyl-benzoate; chromium(3+) Openeye Name: chromic sodium 2-[1-(4-chlorophenyl)-3-methyl-5-oxido-pyrazol-4-yl]azo-5-sulfamoyl-benzoate CAS Name: sodium; 2-[[1-(4-chlorophenyl)-3-methyl-5-oxido-4-pyrazolyl]azo]-5-sulfamoylbenzoate; chromium(3+) IUPAC Name: sodium; 2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate; chromium(3+) Traditional Name: chromic sodium 2-[1-(4-chlorophenyl)-3-methyl-5-oxido-pyrazol-4-yl]azo-5-sulfamoyl-benzoate Formula: C34H24Cl2CrN10NaO10S2 MolecularWeight: 942.63723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H14ClN5O5S.Cr.Na/c2*1-9-15(16(24)23(22-9)11-4-2-10(18)3-5-11)21-20-14-7-6-12(29(19,27)28)8-13(14)17(25)26;;/h2*2-8,24H,1H3,(H,25,26)(H2,19,27,28);;/q;;+3;+1/p-4