ethyl 2-(2-chloranyl-1-oxidanyl-cyclohexyl)-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl 2-(2-chloranyl-1-oxidanyl-cyclohexyl)-2-phenylsulfanyl-ethanoate Openeye Name: ethyl 2-(2-chloro-1-hydroxy-cyclohexyl)-2-phenylsulfanyl-acetate CAS Name: 2-(2-chloro-1-hydroxycyclohexyl)-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-1-hydroxycyclohexyl)-2-phenylsulfanylacetate Traditional Name: 2-(2-chloro-1-hydroxy-cyclohexyl)-2-(phenylthio)acetic acid ethyl ester Formula: C16H21ClO3S MolecularWeight: 328.85414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCCCC1Cl)O)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1(CCCCC1Cl)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H21ClO3S/c1-2-20-15(18)14(21-12-8-4-3-5-9-12)16(19)11-7-6-10-13(16)17/h3-5,8-9,13-14,19H,2,6-7,10-11H2,1H3