dimethyl 2-but-2-ynyl-2-cyclohept-2-en-1-yl-propanedioate

Systemtic Name: dimethyl 2-but-2-ynyl-2-cyclohept-2-en-1-yl-propanedioate Openeye Name: dimethyl 2-but-2-ynyl-2-cyclohept-2-en-1-yl-propanedioate CAS Name: 2-but-2-ynyl-2-(1-cyclohept-2-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-but-2-ynyl-2-cyclohept-2-en-1-ylpropanedioate Traditional Name: 2-but-2-ynyl-2-cyclohept-2-en-1-yl-malonic acid dimethyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C1CCCCC=C1)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC#CCC(C1CCCCC=C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H22O4/c1-4-5-12-16(14(17)19-2,15(18)20-3)13-10-8-6-7-9-11-13/h8,10,13H,6-7,9,11-12H2,1-3H3