2-ethylhexyl 3-oxidanylidene-3-thiophen-3-yl-propanoate

Systemtic Name: 2-ethylhexyl 3-oxidanylidene-3-thiophen-3-yl-propanoate Openeye Name: 2-ethylhexyl 3-oxo-3-(3-thienyl)propanoate CAS Name: 3-oxo-3-(3-thiophenyl)propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-oxo-3-thiophen-3-ylpropanoate Traditional Name: 3-keto-3-(3-thienyl)propionic acid 2-ethylhexyl ester Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(=O)C1=CSC=C1

Isomeric SMILES

CCCCC(CC)COC(=O)CC(=O)C1=CSC=C1

InChI

InChI=1S/C15H22O3S/c1-3-5-6-12(4-2)10-18-15(17)9-14(16)13-7-8-19-11-13/h7-8,11-12H,3-6,9-10H2,1-2H3