4-acetamido-3-oxidanyl-naphthalene-1-sulfonic acid; pyridine

Systemtic Name: 4-acetamido-3-oxidanyl-naphthalene-1-sulfonic acid; pyridine Openeye Name: 4-acetamido-3-hydroxy-naphthalene-1-sulfonic acid; pyridine CAS Name: 4-acetamido-3-hydroxy-1-naphthalenesulfonic acid; pyridine IUPAC Name: 4-acetamido-3-hydroxynaphthalene-1-sulfonic acid; pyridine Traditional Name: 4-acetamido-3-hydroxy-naphthalene-1-sulfonic acid; pyridine Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)O.C1=CC=NC=C1

Isomeric SMILES

CC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)O.C1=CC=NC=C1

InChI

InChI=1S/C12H11NO5S.C5H5N/c1-7(14)13-12-9-5-3-2-4-8(9)11(6-10(12)15)19(16,17)18;1-2-4-6-5-3-1/h2-6,15H,1H3,(H,13,14)(H,16,17,18);1-5H