methyl 5-oxidanylidene-2,2-bis(phenylsulfanyl)pentanoate

Systemtic Name: methyl 5-oxidanylidene-2,2-bis(phenylsulfanyl)pentanoate Openeye Name: methyl 5-oxo-2,2-bis(phenylsulfanyl)pentanoate CAS Name: 5-oxo-2,2-bis(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-2,2-bis(phenylsulfanyl)pentanoate Traditional Name: 5-keto-2,2-bis(phenylthio)valeric acid methyl ester Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=O)(SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCC=O)(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H18O3S2/c1-21-17(20)18(13-8-14-19,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3