disodium 4-[(1-methoxysulfonylnaphthalen-2-yl)diazenyl]-3-oxidanidyl-naphthalene-2-carboxylate

Systemtic Name: disodium 4-[(1-methoxysulfonylnaphthalen-2-yl)diazenyl]-3-oxidanidyl-naphthalene-2-carboxylate Openeye Name: disodium 4-[(1-methoxysulfonyl-2-naphthyl)azo]-3-oxido-naphthalene-2-carboxylate CAS Name: disodium 4-[(1-methoxysulfonyl-2-naphthalenyl)azo]-3-oxido-2-naphthalenecarboxylate IUPAC Name: disodium 4-[(1-methoxysulfonylnaphthalen-2-yl)diazenyl]-3-oxidonaphthalene-2-carboxylate Traditional Name: disodium 4-[(1-methoxysulfonyl-2-naphthyl)azo]-3-oxido-2-naphthoate Formula: C22H14N2Na2O6S MolecularWeight: 480.4009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=C(C=CC2=CC=CC=C21)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

COS(=O)(=O)C1=C(C=CC2=CC=CC=C21)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H16N2O6S.2Na/c1-30-31(28,29)21-16-9-5-2-6-13(16)10-11-18(21)23-24-19-15-8-4-3-7-14(15)12-17(20(19)25)22(26)27;;/h2-12,25H,1H3,(H,26,27);;/q;2*+1/p-2