methyl 2-methanoyl-2-phenylsulfanyl-hexanoate

Systemtic Name: methyl 2-methanoyl-2-phenylsulfanyl-hexanoate Openeye Name: methyl 2-formyl-2-phenylsulfanyl-hexanoate CAS Name: 2-formyl-2-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 2-formyl-2-phenylsulfanylhexanoate Traditional Name: 2-formyl-2-(phenylthio)hexanoic acid methyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-3-4-10-14(11-15,13(16)17-2)18-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3