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

Systemtic Name: diethyl 2-[(E)-9-oxidanylidene-8-pentyl-hexadec-6-en-7-yl]propanedioate Openeye Name: diethyl 2-[(1E)-1-hexylidene-3-oxo-2-pentyl-decyl]propanedioate CAS Name: 2-[(E)-9-oxo-8-pentylhexadec-6-en-7-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-9-oxo-8-pentylhexadec-6-en-7-yl]propanedioate Traditional Name: 2-[(E)-1-(1-amyl-2-keto-nonyl)hept-1-enyl]malonic acid diethyl ester Formula: C28H50O5 MolecularWeight: 466.6936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50O5/c1-6-11-14-16-19-22-25(29)23(20-17-13-8-3)24(21-18-15-12-7-2)26(27(30)32-9-4)28(31)33-10-5/h21,23,26H,6-20,22H2,1-5H3/b24-21+