4-[(4-acetamidophenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(4-acetamidophenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(4-acetamidobenzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[(4-acetamidophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(4-acetamidobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(4-acetamidobenzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C19H16N2O9S2 MolecularWeight: 480.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C19H16N2O9S2/c1-10(22)20-12-4-2-11(3-5-12)19(24)21-15-6-7-17(32(28,29)30)14-8-13(31(25,26)27)9-16(23)18(14)15/h2-9,23H,1H3,(H,20,22)(H,21,24)(H,25,26,27)(H,28,29,30)