methyl 2-methanoyl-2-phenylsulfanyl-butanoate

Systemtic Name: methyl 2-methanoyl-2-phenylsulfanyl-butanoate Openeye Name: methyl 2-formyl-2-phenylsulfanyl-butanoate CAS Name: 2-formyl-2-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 2-formyl-2-phenylsulfanylbutanoate Traditional Name: 2-formyl-2-(phenylthio)butyric acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-3-12(9-13,11(14)15-2)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3