[(2S,4R)-2,6-dimethyl-5-oxidanylidene-1-(phenylsulfonyl)heptan-4-yl] methanoate

Systemtic Name: [(2S,4R)-2,6-dimethyl-5-oxidanylidene-1-(phenylsulfonyl)heptan-4-yl] methanoate Openeye Name: [(1R)-1-[(2S)-3-(benzenesulfonyl)-2-methyl-propyl]-3-methyl-2-oxo-butyl] formate CAS Name: formic acid [(2S,4R)-1-(benzenesulfonyl)-2,6-dimethyl-5-oxoheptan-4-yl] ester IUPAC Name: [(2S,4R)-1-(benzenesulfonyl)-2,6-dimethyl-5-oxoheptan-4-yl] formate Traditional Name: formic acid [(1R)-1-[(2S)-3-besyl-2-methyl-propyl]-2-keto-3-methyl-butyl] ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CC(C)CS(=O)(=O)C1=CC=CC=C1)OC=O

Isomeric SMILES

C[C@@H](C[C@H](C(=O)C(C)C)OC=O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O5S/c1-12(2)16(18)15(21-11-17)9-13(3)10-22(19,20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m0/s1