(4-methyl-4-oxidanyl-5-oxidanylidene-5-phenyl-pent-1-en-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-methyl-4-oxidanyl-5-oxidanylidene-5-phenyl-pent-1-en-3-yl) 4-methylbenzenesulfonate Openeye Name: 1-(1-hydroxy-1-methyl-2-oxo-2-phenyl-ethyl)allyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-hydroxy-4-methyl-5-oxo-5-phenylpent-1-en-3-yl) ester IUPAC Name: (4-hydroxy-4-methyl-5-oxo-5-phenylpent-1-en-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(1-hydroxy-2-keto-1-methyl-2-phenyl-ethyl)allyl ester Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=C)C(C)(C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C=C)C(C)(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H20O5S/c1-4-17(19(3,21)18(20)15-8-6-5-7-9-15)24-25(22,23)16-12-10-14(2)11-13-16/h4-13,17,21H,1H2,2-3H3