methyl 3-methanoyl-3-phenylsulfanyl-pentanoate

Systemtic Name: methyl 3-methanoyl-3-phenylsulfanyl-pentanoate Openeye Name: methyl 3-formyl-3-phenylsulfanyl-pentanoate CAS Name: 3-formyl-3-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 3-formyl-3-phenylsulfanylpentanoate Traditional Name: 3-formyl-3-(phenylthio)valeric acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-3-13(10-14,9-12(15)16-2)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3