dimethyl 2-[5-(cyclohexen-1-yl)pent-1-en-4-yn-3-yl]propanedioate

Systemtic Name: dimethyl 2-[5-(cyclohexen-1-yl)pent-1-en-4-yn-3-yl]propanedioate Openeye Name: dimethyl 2-[1-[2-(cyclohexen-1-yl)ethynyl]allyl]propanedioate CAS Name: 2-[5-(1-cyclohexenyl)pent-1-en-4-yn-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(cyclohexen-1-yl)pent-1-en-4-yn-3-yl]propanedioate Traditional Name: 2-[1-[2-(cyclohexen-1-yl)ethynyl]allyl]malonic acid dimethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C=C)C#CC1=CCCCC1)C(=O)OC

Isomeric SMILES

COC(=O)C(C(C=C)C#CC1=CCCCC1)C(=O)OC

InChI

InChI=1S/C16H20O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4,8,13-14H,1,5-7,9H2,2-3H3