sodium 7-acetamido-3-methyl-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 7-acetamido-3-methyl-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: sodium 7-acetamido-4-hydroxy-3-methyl-naphthalene-2-sulfonate CAS Name: sodium 7-acetamido-4-hydroxy-3-methyl-2-naphthalenesulfonate IUPAC Name: sodium 7-acetamido-4-hydroxy-3-methylnaphthalene-2-sulfonate Traditional Name: sodium 7-acetamido-4-hydroxy-3-methyl-naphthalene-2-sulfonate Formula: C13H12NNaO5S MolecularWeight: 317.29285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=C1O)NC(=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=C1O)NC(=O)C)S(=O)(=O)[O-].[Na+]

InChI

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