diethyl 2-[(E)-8-butyl-9-oxidanylidene-hexadec-6-en-7-yl]propanedioate

Systemtic Name: diethyl 2-[(E)-8-butyl-9-oxidanylidene-hexadec-6-en-7-yl]propanedioate Openeye Name: diethyl 2-[(1E)-2-butyl-1-hexylidene-3-oxo-decyl]propanedioate CAS Name: 2-[(E)-8-butyl-9-oxohexadec-6-en-7-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-8-butyl-9-oxohexadec-6-en-7-yl]propanedioate Traditional Name: 2-[(E)-1-(1-butyl-2-keto-nonyl)hept-1-enyl]malonic acid diethyl ester Formula: C27H48O5 MolecularWeight: 452.66702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(CCCC)C(=CCCCCC)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)C(CCCC)/C(=C\CCCCC)/C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H48O5/c1-6-11-14-16-18-21-24(28)22(19-13-8-3)23(20-17-15-12-7-2)25(26(29)31-9-4)27(30)32-10-5/h20,22,25H,6-19,21H2,1-5H3/b23-20+