methyl 6-(6-methoxy-6-oxidanylidene-hexyl)sulfanylicos-7-ynoate

Systemtic Name: methyl 6-(6-methoxy-6-oxidanylidene-hexyl)sulfanylicos-7-ynoate Openeye Name: methyl 6-(6-methoxy-6-oxo-hexyl)sulfanylicos-7-ynoate CAS Name: 6-[(6-methoxy-6-oxohexyl)thio]-7-eicosynoic acid methyl ester IUPAC Name: methyl 6-(6-methoxy-6-oxohexyl)sulfanylicos-7-ynoate Traditional Name: 6-[(6-keto-6-methoxy-hexyl)thio]eicos-7-ynoic acid methyl ester Formula: C28H50O4S MolecularWeight: 482.7592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SCCCCCC(=O)OC

InChI

InChI=1S/C28H50O4S/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-26(22-18-19-24-28(30)32-3)33-25-20-15-17-23-27(29)31-2/h26H,4-15,17-20,22-25H2,1-3H3