methyl 2,2-dimethoxy-4-phenylsulfanyl-pentanoate

Systemtic Name: methyl 2,2-dimethoxy-4-phenylsulfanyl-pentanoate Openeye Name: methyl 2,2-dimethoxy-4-phenylsulfanyl-pentanoate CAS Name: 2,2-dimethoxy-4-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 2,2-dimethoxy-4-phenylsulfanylpentanoate Traditional Name: 2,2-dimethoxy-4-(phenylthio)valeric acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)OC)(OC)OC)SC1=CC=CC=C1

Isomeric SMILES

CC(CC(C(=O)OC)(OC)OC)SC1=CC=CC=C1

InChI

InChI=1S/C14H20O4S/c1-11(19-12-8-6-5-7-9-12)10-14(17-3,18-4)13(15)16-2/h5-9,11H,10H2,1-4H3