4-[(3-sulfophenyl)diazenyl]naphthalene-1-diazonium sulfate

Systemtic Name: 4-[(3-sulfophenyl)diazenyl]naphthalene-1-diazonium sulfate Openeye Name: 4-(3-sulfophenyl)azonaphthalene-1-diazonium sulfate CAS Name: 4-(3-sulfophenyl)azo-1-naphthalenediazonium sulfate IUPAC Name: 4-[(3-sulfophenyl)diazenyl]naphthalene-1-diazonium sulfate Traditional Name: 4-(3-sulfophenyl)azonaphthalene-1-diazonium sulfate Formula: C32H22N8O10S3 MolecularWeight: 774.75968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC(=CC=C3)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC(=CC=C3)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC(=CC=C3)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC(=CC=C3)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H10N4O3S.H2O4S/c2*17-18-15-8-9-16(14-7-2-1-6-13(14)15)20-19-11-4-3-5-12(10-11)24(21,22)23;1-5(2,3)4/h2*1-10H;(H2,1,2,3,4)