S-ethyl 4-(1-oxidanylhexadecylidene)-3,5-bis(oxidanylidene)cyclohexane-1-carbothioate

Systemtic Name: S-ethyl 4-(1-oxidanylhexadecylidene)-3,5-bis(oxidanylidene)cyclohexane-1-carbothioate Openeye Name: S-ethyl 4-(1-hydroxyhexadecylidene)-3,5-dioxo-cyclohexanecarbothioate CAS Name: 4-(1-hydroxyhexadecylidene)-3,5-dioxo-1-cyclohexanecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-(1-hydroxyhexadecylidene)-3,5-dioxocyclohexane-1-carbothioate Traditional Name: 4-(1-hydroxyhexadecylidene)-3,5-diketo-cyclohexanecarbothioic acid S-ethyl ester Formula: C25H42O4S MolecularWeight: 438.66358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=C1C(=O)CC(CC1=O)C(=O)SCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=C1C(=O)CC(CC1=O)C(=O)SCC)O

InChI

InChI=1S/C25H42O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(19-23(24)28)25(29)30-4-2/h20,26H,3-19H2,1-2H3