sodium; chromium(3+); 8-(methoxycarbonylamino)-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate

Systemtic Name: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate Openeye Name: chromic sodium 8-(methoxycarbonylamino)-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate CAS Name: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate IUPAC Name: sodium; chromium(3+); 8-(methoxycarbonylamino)-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate Traditional Name: chromic sodium 8-(carbomethoxyamino)-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate Formula: C36H28CrN8NaO12S2 MolecularWeight: 903.76979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Na+].[Cr+3]

Isomeric SMILES

COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].COC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Na+].[Cr+3]

InChI

InChI=1S/2C18H16N4O6S.Cr.Na/c2*1-28-18(25)20-12-4-2-3-10-5-7-15(24)17(16(10)12)22-21-13-9-11(29(19,26)27)6-8-14(13)23;;/h2*2-9,23-24H,1H3,(H,20,25)(H2,19,26,27);;/q;;+3;+1/p-4