dimethyl 2-[(E,3S,4R)-4-methyl-5-oxidanylidene-oct-6-en-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(E,3S,4R)-4-methyl-5-oxidanylidene-oct-6-en-3-yl]propanedioate Openeye Name: dimethyl 2-[(E,1S,2R)-1-ethyl-2-methyl-3-oxo-hex-4-enyl]propanedioate CAS Name: 2-[(E,3S,4R)-4-methyl-5-oxooct-6-en-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E,3S,4R)-4-methyl-5-oxooct-6-en-3-yl]propanedioate Traditional Name: 2-[(E,1S,2R)-1-ethyl-3-keto-2-methyl-hex-4-enyl]malonic acid dimethyl ester Formula: C14H22O5 MolecularWeight: 270.32148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H]([C@@H](C)C(=O)/C=C/C)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H22O5/c1-6-8-11(15)9(3)10(7-2)12(13(16)18-4)14(17)19-5/h6,8-10,12H,7H2,1-5H3/b8-6+/t9-,10+/m1/s1