O-octyl [1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]sulfanylmethanethioate

Systemtic Name: O-octyl [1,1-bis(oxidanylidene)-2,5-dihydrothiophen-3-yl]sulfanylmethanethioate Openeye Name: O-octyl (1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanylmethanethioate CAS Name: [(1,1-dioxo-2,5-dihydrothiophen-3-yl)thio]methanethioic acid O-octyl ester IUPAC Name: O-octyl (1,1-dioxo-2,5-dihydrothiophen-3-yl)sulfanylmethanethioate Traditional Name: [(1,1-diketo-2,5-dihydrothiophen-3-yl)thio]methanethioic acid O-octyl ester Formula: C13H22O3S3 MolecularWeight: 322.50698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=S)SC1=CCS(=O)(=O)C1

Isomeric SMILES

CCCCCCCCOC(=S)SC1=CCS(=O)(=O)C1

InChI

InChI=1S/C13H22O3S3/c1-2-3-4-5-6-7-9-16-13(17)18-12-8-10-19(14,15)11-12/h8H,2-7,9-11H2,1H3