4-[(3-acetamidophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3-acetamidophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(3-acetamidobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(3-acetamidophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(3-acetamidobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(3-acetamidobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C19H16N2O9S2 MolecularWeight: 480.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

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