methyl 6-(1-methoxy-1-oxidanylidene-hexan-2-yl)sulfanylicos-7-ynoate

Systemtic Name: methyl 6-(1-methoxy-1-oxidanylidene-hexan-2-yl)sulfanylicos-7-ynoate Openeye Name: methyl 6-(1-methoxycarbonylpentylsulfanyl)icos-7-ynoate CAS Name: 6-[(1-methoxy-1-oxohexan-2-yl)thio]-7-eicosynoic acid methyl ester IUPAC Name: methyl 6-(1-methoxy-1-oxohexan-2-yl)sulfanylicos-7-ynoate Traditional Name: 6-(1-carbomethoxypentylthio)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)SC(CCCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SC(CCCC)C(=O)OC

InChI

InChI=1S/C28H50O4S/c1-5-7-9-10-11-12-13-14-15-16-17-18-21-25(22-19-20-24-27(29)31-3)33-26(23-8-6-2)28(30)32-4/h25-26H,5-17,19-20,22-24H2,1-4H3