(3-methyl-3-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-3-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-1,2-dimethyl-3-oxo-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-3-methyl-4-oxo-4-phenylbutan-2-yl) ester IUPAC Name: (3-hydroxy-3-methyl-4-oxo-4-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-keto-1,2-dimethyl-3-phenyl-propyl) ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H20O5S/c1-13-9-11-16(12-10-13)24(21,22)23-14(2)18(3,20)17(19)15-7-5-4-6-8-15/h4-12,14,20H,1-3H3