5,6-bis(oxidanylidene)-8-[(4-sulfamoylphenyl)amino]naphthalene-2-sulfonic acid

Systemtic Name: 5,6-bis(oxidanylidene)-8-[(4-sulfamoylphenyl)amino]naphthalene-2-sulfonic acid Openeye Name: 5,6-dioxo-8-(4-sulfamoylanilino)naphthalene-2-sulfonic acid CAS Name: 5,6-dioxo-8-(4-sulfamoylanilino)-2-naphthalenesulfonic acid IUPAC Name: 5,6-dioxo-8-(4-sulfamoylanilino)naphthalene-2-sulfonic acid Traditional Name: 5,6-diketo-8-(4-sulfamoylanilino)naphthalene-2-sulfonic acid Formula: C16H12N2O7S2 MolecularWeight: 408.40568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=O)C(=O)C3=C2C=C(C=C3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=O)C(=O)C3=C2C=C(C=C3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H12N2O7S2/c17-26(21,22)10-3-1-9(2-4-10)18-14-8-15(19)16(20)12-6-5-11(7-13(12)14)27(23,24)25/h1-8,18H,(H2,17,21,22)(H,23,24,25)