sodium 6-[[1-(2-hydroxyphenyl)-4-oxidanyl-3,4-bis(oxidanylidene)butyl]amino]naphthalene-1-sulfonate

Systemtic Name: sodium 6-[[1-(2-hydroxyphenyl)-4-oxidanyl-3,4-bis(oxidanylidene)butyl]amino]naphthalene-1-sulfonate Openeye Name: sodium 6-[[4-hydroxy-1-(2-hydroxyphenyl)-3,4-dioxo-butyl]amino]naphthalene-1-sulfonate CAS Name: sodium 6-[[4-hydroxy-1-(2-hydroxyphenyl)-3,4-dioxobutyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 6-[[4-hydroxy-1-(2-hydroxyphenyl)-3,4-dioxobutyl]amino]naphthalene-1-sulfonate Traditional Name: sodium 6-[[4-hydroxy-1-(2-hydroxyphenyl)-3,4-diketo-butyl]amino]naphthalene-1-sulfonate Formula: C20H16NNaO7S MolecularWeight: 437.39831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)C(=O)O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)C(=O)O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H17NO7S.Na/c22-17-6-2-1-5-15(17)16(11-18(23)20(24)25)21-13-8-9-14-12(10-13)4-3-7-19(14)29(26,27)28;/h1-10,16,21-22H,11H2,(H,24,25)(H,26,27,28);/q;+1/p-1