3-acetyloxy-4-methyl-benzenesulfonic acid

Systemtic Name: 3-acetyloxy-4-methyl-benzenesulfonic acid Openeye Name: 3-acetoxy-4-methyl-benzenesulfonic acid CAS Name: 3-acetyloxy-4-methylbenzenesulfonic acid IUPAC Name: 3-acetyloxy-4-methylbenzenesulfonic acid Traditional Name: 3-acetoxy-4-methyl-besylic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)OC(=O)C

InChI

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