[(3S,5S)-2,6-dimethyl-5-oxidanyl-heptan-3-yl] 4-(1,3-dithian-2-yl)butanoate

Systemtic Name: [(3S,5S)-2,6-dimethyl-5-oxidanyl-heptan-3-yl] 4-(1,3-dithian-2-yl)butanoate Openeye Name: [(1S,3S)-3-hydroxy-1-isopropyl-4-methyl-pentyl] 4-(1,3-dithian-2-yl)butanoate CAS Name: 4-(1,3-dithian-2-yl)butanoic acid [(3S,5S)-5-hydroxy-2,6-dimethylheptan-3-yl] ester IUPAC Name: [(3S,5S)-5-hydroxy-2,6-dimethylheptan-3-yl] 4-(1,3-dithian-2-yl)butanoate Traditional Name: 4-(1,3-dithian-2-yl)butyric acid [(1S,3S)-3-hydroxy-1-isopropyl-4-methyl-pentyl] ester Formula: C17H32O3S2 MolecularWeight: 348.56418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(C)C)OC(=O)CCCC1SCCCS1)O

Isomeric SMILES

CC(C)[C@H](C[C@@H](C(C)C)OC(=O)CCCC1SCCCS1)O

InChI

InChI=1S/C17H32O3S2/c1-12(2)14(18)11-15(13(3)4)20-16(19)7-5-8-17-21-9-6-10-22-17/h12-15,17-18H,5-11H2,1-4H3/t14-,15-/m0/s1