2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylsulfanyl-ethyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylsulfanyl-ethyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylsulfanyl-ethyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(phenylthio)ethyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylsulfanylethyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[2-[(4S,5S)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(phenylthio)ethyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C25H36O4S MolecularWeight: 432.61594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC(O1)(C)C)CC(C2=C(CCCC2=O)O)SC3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@H]1[C@@H](OC(O1)(C)C)CC(C2=C(CCCC2=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C25H36O4S/c1-4-5-6-10-16-21-22(29-25(2,3)28-21)17-23(30-18-12-8-7-9-13-18)24-19(26)14-11-15-20(24)27/h7-9,12-13,21-23,26H,4-6,10-11,14-17H2,1-3H3/t21-,22-,23?/m0/s1