4-acetamido-7-methyl-5-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 4-acetamido-7-methyl-5-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-acetamido-5-hydroxy-7-methyl-naphthalene-2-sulfonic acid CAS Name: 4-acetamido-5-hydroxy-7-methyl-2-naphthalenesulfonic acid IUPAC Name: 4-acetamido-5-hydroxy-7-methylnaphthalene-2-sulfonic acid Traditional Name: 4-acetamido-5-hydroxy-7-methyl-naphthalene-2-sulfonic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C=C2NC(=O)C)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C=C2NC(=O)C)S(=O)(=O)O)O

InChI

InChI=1S/C13H13NO5S/c1-7-3-9-5-10(20(17,18)19)6-11(14-8(2)15)13(9)12(16)4-7/h3-6,16H,1-2H3,(H,14,15)(H,17,18,19)