methyl 3-methanoyl-3-phenylsulfanyl-nonanoate

Systemtic Name: methyl 3-methanoyl-3-phenylsulfanyl-nonanoate Openeye Name: methyl 3-formyl-3-phenylsulfanyl-nonanoate CAS Name: 3-formyl-3-(phenylthio)nonanoic acid methyl ester IUPAC Name: methyl 3-formyl-3-phenylsulfanylnonanoate Traditional Name: 3-formyl-3-(phenylthio)pelargonic acid methyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3S/c1-3-4-5-9-12-17(14-18,13-16(19)20-2)21-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3