sodium; chromium(3+); 4-[[3-methyl-5-oxidanidyl-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate; trihydrate

Systemtic Name: sodium; chromium(3+); 4-[[3-methyl-5-oxidanidyl-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate; trihydrate Openeye Name: chromic sodium 4-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-3-oxido-naphthalene-1-sulfonate trihydrate CAS Name: sodium; chromium(3+); 4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)-4-pyrazolyl]azo]-3-oxido-1-naphthalenesulfonate; trihydrate IUPAC Name: sodium; chromium(3+); 4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidonaphthalene-1-sulfonate; trihydrate Traditional Name: chromic sodium 4-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-3-oxido-naphthalene-1-sulfonate trihydrate Formula: C20H18CrN4NaO11S2 MolecularWeight: 629.49299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].O.O.O.[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].O.O.O.[Na+].[Cr+3]

InChI

InChI=1S/C20H16N4O8S2.Cr.Na.3H2O/c1-11-18(20(26)24(23-11)12-5-4-6-13(9-12)33(27,28)29)21-22-19-15-8-3-2-7-14(15)17(10-16(19)25)34(30,31)32;;;;;/h2-10,25-26H,1H3,(H,27,28,29)(H,30,31,32);;;3*1H2/q;+3;+1;;;/p-4