methyl 5-ethylsulfanyl-6-oxidanyl-8-phenyl-octanoate

Systemtic Name: methyl 5-ethylsulfanyl-6-oxidanyl-8-phenyl-octanoate Openeye Name: methyl 5-ethylsulfanyl-6-hydroxy-8-phenyl-octanoate CAS Name: 5-(ethylthio)-6-hydroxy-8-phenyloctanoic acid methyl ester IUPAC Name: methyl 5-ethylsulfanyl-6-hydroxy-8-phenyloctanoate Traditional Name: 5-(ethylthio)-6-hydroxy-8-phenyl-caprylic acid methyl ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CCCC(=O)OC)C(CCC1=CC=CC=C1)O

Isomeric SMILES

CCSC(CCCC(=O)OC)C(CCC1=CC=CC=C1)O

InChI

InChI=1S/C17H26O3S/c1-3-21-16(10-7-11-17(19)20-2)15(18)13-12-14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,3,7,10-13H2,1-2H3