methyl 8-oxidanylidene-8-thiophen-2-yl-octanoate

Systemtic Name: methyl 8-oxidanylidene-8-thiophen-2-yl-octanoate Openeye Name: methyl 8-oxo-8-(2-thienyl)octanoate CAS Name: 8-oxo-8-thiophen-2-yloctanoic acid methyl ester IUPAC Name: methyl 8-oxo-8-thiophen-2-yloctanoate Traditional Name: 8-keto-8-(2-thienyl)caprylic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)CCCCCCC(=O)C1=CC=CS1

InChI

InChI=1S/C13H18O3S/c1-16-13(15)9-5-3-2-4-7-11(14)12-8-6-10-17-12/h6,8,10H,2-5,7,9H2,1H3