2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cyclohex-2-en-1-one

Systemtic Name: 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cyclohex-2-en-1-one Openeye Name: 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanyl-methyl]cyclohex-2-en-1-one CAS Name: 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(phenylthio)methyl]-1-cyclohex-2-enone IUPAC Name: 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]cyclohex-2-en-1-one Traditional Name: 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(phenylthio)methyl]cyclohex-2-en-1-one Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C2=CCCCC2=O)SC3=CC=CC=C3)C

Isomeric SMILES

CC1(OC[C@H](O1)C(C2=CCCCC2=O)SC3=CC=CC=C3)C

InChI

InChI=1S/C18H22O3S/c1-18(2)20-12-16(21-18)17(14-10-6-7-11-15(14)19)22-13-8-4-3-5-9-13/h3-5,8-10,16-17H,6-7,11-12H2,1-2H3/t16-,17?/m0/s1