phenacyl 6-(2-hydroxyethylsulfanyl)hexanoate

Systemtic Name: phenacyl 6-(2-hydroxyethylsulfanyl)hexanoate Openeye Name: phenacyl 6-(2-hydroxyethylsulfanyl)hexanoate CAS Name: 6-(2-hydroxyethylthio)hexanoic acid phenacyl ester IUPAC Name: phenacyl 6-(2-hydroxyethylsulfanyl)hexanoate Traditional Name: 6-(2-hydroxyethylthio)hexanoic acid phenacyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCSCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCSCCO

InChI

InChI=1S/C16H22O4S/c17-10-12-21-11-6-2-5-9-16(19)20-13-15(18)14-7-3-1-4-8-14/h1,3-4,7-8,17H,2,5-6,9-13H2