diethyl 2-[(4-oct-1-ynylphenyl)methylidene]propanedioate

Systemtic Name: diethyl 2-[(4-oct-1-ynylphenyl)methylidene]propanedioate Openeye Name: diethyl 2-[(4-oct-1-ynylphenyl)methylene]propanedioate CAS Name: 2-[(4-oct-1-ynylphenyl)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-oct-1-ynylphenyl)methylidene]propanedioate Traditional Name: 2-(4-oct-1-ynylbenzylidene)malonic acid diethyl ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H28O4/c1-4-7-8-9-10-11-12-18-13-15-19(16-14-18)17-20(21(23)25-5-2)22(24)26-6-3/h13-17H,4-10H2,1-3H3