methyl 6-(5-decylthiophen-2-yl)-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-(5-decylthiophen-2-yl)-6-oxidanylidene-hexanoate Openeye Name: methyl 6-(5-decyl-2-thienyl)-6-oxo-hexanoate CAS Name: 6-(5-decyl-2-thiophenyl)-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-(5-decylthiophen-2-yl)-6-oxohexanoate Traditional Name: 6-(5-decyl-2-thienyl)-6-keto-hexanoic acid methyl ester Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(S1)C(=O)CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(S1)C(=O)CCCCC(=O)OC

InChI

InChI=1S/C21H34O3S/c1-3-4-5-6-7-8-9-10-13-18-16-17-20(25-18)19(22)14-11-12-15-21(23)24-2/h16-17H,3-15H2,1-2H3