4-acetamido-5-oxidanyl-naphthalene-1,6-disulfonic acid

Systemtic Name: 4-acetamido-5-oxidanyl-naphthalene-1,6-disulfonic acid Openeye Name: 4-acetamido-5-hydroxy-naphthalene-1,6-disulfonic acid CAS Name: 4-acetamido-5-hydroxynaphthalene-1,6-disulfonic acid IUPAC Name: 4-acetamido-5-hydroxynaphthalene-1,6-disulfonic acid Traditional Name: 4-acetamido-5-hydroxy-naphthalene-1,6-disulfonic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC(=C2O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC(=C2O)S(=O)(=O)O

InChI

InChI=1S/C12H11NO8S2/c1-6(14)13-8-3-5-9(22(16,17)18)7-2-4-10(23(19,20)21)12(15)11(7)8/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)