6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxidanylidene-propyl]sulfanylpropanoate

Systemtic Name: 6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: 6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-(6-methylheptoxy)-3-oxopropyl]thio]propanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-keto-3-(6-methylheptoxy)propyl]thio]propionic acid 6-methylheptyl ester Formula: C22H42O4S MolecularWeight: 402.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C

InChI

InChI=1S/C22H42O4S/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3