methyl 2-methanoyl-2-phenylsulfanyl-dodecanoate

Systemtic Name: methyl 2-methanoyl-2-phenylsulfanyl-dodecanoate Openeye Name: methyl 2-formyl-2-phenylsulfanyl-dodecanoate CAS Name: 2-formyl-2-(phenylthio)dodecanoic acid methyl ester IUPAC Name: methyl 2-formyl-2-phenylsulfanyldodecanoate Traditional Name: 2-formyl-2-(phenylthio)lauric acid methyl ester Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O3S/c1-3-4-5-6-7-8-9-13-16-20(17-21,19(22)23-2)24-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3