diethyl 2-[(E)-5-(4-methylphenyl)carbonyldodec-6-en-6-yl]propanedioate

Systemtic Name: diethyl 2-[(E)-5-(4-methylphenyl)carbonyldodec-6-en-6-yl]propanedioate Openeye Name: diethyl 2-[(E)-1-[1-(4-methylbenzoyl)pentyl]hept-1-enyl]propanedioate CAS Name: 2-[(E)-5-[(4-methylphenyl)-oxomethyl]dodec-6-en-6-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-5-(4-methylbenzoyl)dodec-6-en-6-yl]propanedioate Traditional Name: 2-[(E)-1-(1-p-toluoylpentyl)hept-1-enyl]malonic acid diethyl ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C(CCCC)C(=O)C1=CC=C(C=C1)C)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC/C=C(\C(CCCC)C(=O)C1=CC=C(C=C1)C)/C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H40O5/c1-6-10-12-13-15-22(24(26(29)31-8-3)27(30)32-9-4)23(14-11-7-2)25(28)21-18-16-20(5)17-19-21/h15-19,23-24H,6-14H2,1-5H3/b22-15+