tert-butyl 2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]-3-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]-3-oxidanylidene-pentanoate Openeye Name: tert-butyl 2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]-3-oxo-pentanoate CAS Name: 2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]-3-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]-3-oxopentanoate Traditional Name: 3-keto-2,4,4-trimethyl-2-[(4-methylphenoxy)sulfinyloxymethyl]valeric acid tert-butyl ester Formula: C20H30O6S MolecularWeight: 398.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)OCC(C)(C(=O)C(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)OCC(C)(C(=O)C(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30O6S/c1-14-9-11-15(12-10-14)26-27(23)24-13-20(8,16(21)18(2,3)4)17(22)25-19(5,6)7/h9-12H,13H2,1-8H3