disodium; chromium(3+); 3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium; chromium(3+); 3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Openeye Name: chromic disodium 3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate CAS Name: disodium; chromium(3+); 3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate IUPAC Name: disodium; chromium(3+); 3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Traditional Name: chromic disodium 3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate Formula: C40H22CrN4Na2O10S2- MolecularWeight: 880.72912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-6