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diethyl 2-[(E)-8-(phenylcarbonyl)tridec-6-en-7-yl]propanedioate

diethyl 2-[(E)-8-(phenylcarbonyl)tridec-6-en-7-yl]propanedioate

Systemtic Name:diethyl 2-[(E)-8-(phenylcarbonyl)tridec-6-en-7-yl]propanedioate
Openeye Name:diethyl 2-[(E)-1-(1-benzoylhexyl)hept-1-enyl]propanedioate
CAS Name:2-[(E)-8-benzoyltridec-6-en-7-yl]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-[(E)-8-benzoyltridec-6-en-7-yl]propanedioate
Traditional Name:2-[(E)-1-(1-benzoylhexyl)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(CCCCC)C(=O)C1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC


Isomeric SMILES

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


InChI

InChI=1S/C27H40O5/c1-5-9-11-16-19-22(24(26(29)31-7-3)27(30)32-8-4)23(20-13-10-6-2)25(28)21-17-14-12-15-18-21/h12,14-15,17-19,23-24H,5-11,13,16,20H2,1-4H3/b22-19+


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