O-ethyl [1-(2-ethyl-1,3-dioxolan-2-yl)-7,7-dimethyl-6-oxidanylidene-3-(phenylcarbonyl)octyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-(2-ethyl-1,3-dioxolan-2-yl)-7,7-dimethyl-6-oxidanylidene-3-(phenylcarbonyl)octyl]sulfanylmethanethioate Openeye Name: O-ethyl [3-benzoyl-1-(2-ethyl-1,3-dioxolan-2-yl)-7,7-dimethyl-6-oxo-octyl]sulfanylmethanethioate CAS Name: [[3-benzoyl-1-(2-ethyl-1,3-dioxolan-2-yl)-7,7-dimethyl-6-oxooctyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [3-benzoyl-1-(2-ethyl-1,3-dioxolan-2-yl)-7,7-dimethyl-6-oxooctyl]sulfanylmethanethioate Traditional Name: [[3-benzoyl-1-(2-ethyl-1,3-dioxolan-2-yl)-6-keto-7,7-dimethyl-octyl]thio]methanethioic acid O-ethyl ester Formula: C25H36O5S2 MolecularWeight: 480.68034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCCO1)C(CC(CCC(=O)C(C)(C)C)C(=O)C2=CC=CC=C2)SC(=S)OCC

Isomeric SMILES

CCC1(OCCO1)C(CC(CCC(=O)C(C)(C)C)C(=O)C2=CC=CC=C2)SC(=S)OCC

InChI

InChI=1S/C25H36O5S2/c1-6-25(29-15-16-30-25)21(32-23(31)28-7-2)17-19(13-14-20(26)24(3,4)5)22(27)18-11-9-8-10-12-18/h8-12,19,21H,6-7,13-17H2,1-5H3