4-acetamido-3-acetyloxy-naphthalene-1-sulfonic acid

Systemtic Name: 4-acetamido-3-acetyloxy-naphthalene-1-sulfonic acid Openeye Name: 4-acetamido-3-acetoxy-naphthalene-1-sulfonic acid CAS Name: 4-acetamido-3-acetyloxy-1-naphthalenesulfonic acid IUPAC Name: 4-acetamido-3-acetyloxynaphthalene-1-sulfonic acid Traditional Name: 4-acetamido-3-acetoxy-naphthalene-1-sulfonic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)OC(=O)C

InChI

InChI=1S/C14H13NO6S/c1-8(16)15-14-11-6-4-3-5-10(11)13(22(18,19)20)7-12(14)21-9(2)17/h3-7H,1-2H3,(H,15,16)(H,18,19,20)