7-ethanoyl-3-(methylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-ethanoyl-3-(methylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-acetyl-4-hydroxy-3-(methylamino)naphthalene-2-sulfonic acid CAS Name: 7-acetyl-4-hydroxy-3-(methylamino)-2-naphthalenesulfonic acid IUPAC Name: 7-acetyl-4-hydroxy-3-(methylamino)naphthalene-2-sulfonic acid Traditional Name: 7-acetyl-4-hydroxy-3-(methylamino)naphthalene-2-sulfonic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=CC(=C(C(=C2C=C1)O)NC)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC2=CC(=C(C(=C2C=C1)O)NC)S(=O)(=O)O

InChI

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