ethyl 4-hexadecanoyl-3,5-bis(oxidanylidene)cyclohexane-1-carboximidothioate hydrochloride

Systemtic Name: ethyl 4-hexadecanoyl-3,5-bis(oxidanylidene)cyclohexane-1-carboximidothioate hydrochloride Openeye Name: ethyl 4-hexadecanoyl-3,5-dioxo-cyclohexanecarboximidothioate hydrochloride CAS Name: 3,5-dioxo-4-(1-oxohexadecyl)-1-cyclohexanecarboximidothioic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-hexadecanoyl-3,5-dioxocyclohexane-1-carboximidothioate hydrochloride Traditional Name: 4-hexadecanoyl-3,5-diketo-cyclohexanecarboximidothioic acid ethyl ester hydrochloride Formula: C25H44ClNO3S MolecularWeight: 474.13976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1C(=O)CC(CC1=O)C(=N)SCC.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1C(=O)CC(CC1=O)C(=N)SCC.Cl

InChI

InChI=1S/C25H43NO3S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)24-22(28)18-20(19-23(24)29)25(26)30-4-2;/h20,24,26H,3-19H2,1-2H3;1H