S-octyl 2-cyclohexylcarbonyl-2-phenyl-butanethioate

Systemtic Name: S-octyl 2-cyclohexylcarbonyl-2-phenyl-butanethioate Openeye Name: S-octyl 2-(cyclohexanecarbonyl)-2-phenyl-butanethioate CAS Name: 2-[cyclohexyl(oxo)methyl]-2-phenylbutanethioic acid S-octyl ester IUPAC Name: S-octyl 2-(cyclohexanecarbonyl)-2-phenylbutanethioate Traditional Name: 2-(cyclohexanecarbonyl)-2-phenyl-butanethioic acid S-octyl ester Formula: C25H38O2S MolecularWeight: 402.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C(CC)(C1=CC=CC=C1)C(=O)C2CCCCC2

Isomeric SMILES

CCCCCCCCSC(=O)C(CC)(C1=CC=CC=C1)C(=O)C2CCCCC2

InChI

InChI=1S/C25H38O2S/c1-3-5-6-7-8-15-20-28-24(27)25(4-2,22-18-13-10-14-19-22)23(26)21-16-11-9-12-17-21/h10,13-14,18-19,21H,3-9,11-12,15-17,20H2,1-2H3