[(1R)-1-deuterio-3-oxidanylidene-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-deuterio-3-oxidanylidene-butyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-deuterio-3-oxo-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-deuterio-3-oxobutyl] ester IUPAC Name: [(1R)-1-deuterio-3-oxobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-deuterio-3-keto-butyl] ester Formula: C11H14O4S MolecularWeight: 243.297622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)C

Isomeric SMILES

[H][C@@]([2H])(CC(=O)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C11H14O4S/c1-9-3-5-11(6-4-9)16(13,14)15-8-7-10(2)12/h3-6H,7-8H2,1-2H3/i8D/t8-/m1/s1