diethyl 2-[(2-tridec-1-ynylphenyl)methylidene]propanedioate

Systemtic Name: diethyl 2-[(2-tridec-1-ynylphenyl)methylidene]propanedioate Openeye Name: diethyl 2-[(2-tridec-1-ynylphenyl)methylene]propanedioate CAS Name: 2-[(2-tridec-1-ynylphenyl)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-tridec-1-ynylphenyl)methylidene]propanedioate Traditional Name: 2-(2-tridec-1-ynylbenzylidene)malonic acid diethyl ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC=CC=C1C=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC=CC=C1C=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-23-20-17-18-21-24(23)22-25(26(28)30-5-2)27(29)31-6-3/h17-18,20-22H,4-15H2,1-3H3