dimethyl 2-[(E)-3,7-dimethyl-6-oxidanylidene-oct-2-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(E)-3,7-dimethyl-6-oxidanylidene-oct-2-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(E)-3,7-dimethyl-6-oxo-oct-2-enyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(E)-3,7-dimethyl-6-oxooct-2-enyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3,7-dimethyl-6-oxooct-2-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(E)-6-keto-3,7-dimethyl-oct-2-enyl]-2-propargyl-malonic acid dimethyl ester Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(=O)CC/C(=C/CC(CC#C)(C(=O)OC)C(=O)OC)/C

InChI

InChI=1S/C18H26O5/c1-7-11-18(16(20)22-5,17(21)23-6)12-10-14(4)8-9-15(19)13(2)3/h1,10,13H,8-9,11-12H2,2-6H3/b14-10+