4-acetamido-5-acetyloxy-naphthalene-1-sulfonic acid

Systemtic Name: 4-acetamido-5-acetyloxy-naphthalene-1-sulfonic acid Openeye Name: 4-acetamido-5-acetoxy-naphthalene-1-sulfonic acid CAS Name: 4-acetamido-5-acetyloxy-1-naphthalenesulfonic acid IUPAC Name: 4-acetamido-5-acetyloxynaphthalene-1-sulfonic acid Traditional Name: 4-acetamido-5-acetoxy-naphthalene-1-sulfonic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2OC(=O)C

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2OC(=O)C

InChI

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