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

Systemtic Name: [(2S,4R,5S)-2,6-dimethyl-5-oxidanyl-1-(phenylsulfonyl)heptan-4-yl] methanoate Openeye Name: [(1R,2S)-1-[(2S)-3-(benzenesulfonyl)-2-methyl-propyl]-2-hydroxy-3-methyl-butyl] formate CAS Name: formic acid [(2S,4R,5S)-1-(benzenesulfonyl)-5-hydroxy-2,6-dimethylheptan-4-yl] ester IUPAC Name: [(2S,4R,5S)-1-(benzenesulfonyl)-5-hydroxy-2,6-dimethylheptan-4-yl] formate Traditional Name: formic acid [(1R,2S)-1-[(2S)-3-besyl-2-methyl-propyl]-2-hydroxy-3-methyl-butyl] ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-12(2)16(18)15(21-11-17)9-13(3)10-22(19,20)14-7-5-4-6-8-14/h4-8,11-13,15-16,18H,9-10H2,1-3H3/t13-,15+,16-/m0/s1