sodium 3-acetyloxy-4-methyl-benzenesulfonate

Systemtic Name: sodium 3-acetyloxy-4-methyl-benzenesulfonate Openeye Name: sodium 3-acetoxy-4-methyl-benzenesulfonate CAS Name: sodium 3-acetyloxy-4-methylbenzenesulfonate IUPAC Name: sodium 3-acetyloxy-4-methylbenzenesulfonate Traditional Name: sodium 3-acetoxy-4-methyl-besylate Formula: C9H9NaO5S MolecularWeight: 252.21953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])OC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])OC(=O)C.[Na+]

InChI

InChI=1S/C9H10O5S.Na/c1-6-3-4-8(15(11,12)13)5-9(6)14-7(2)10;/h3-5H,1-2H3,(H,11,12,13);/q;+1/p-1