methyl (4R)-4-ethyl-4-ethynyl-7-oxidanylidene-heptanoate

Systemtic Name: methyl (4R)-4-ethyl-4-ethynyl-7-oxidanylidene-heptanoate Openeye Name: methyl (4R)-4-ethyl-4-ethynyl-7-oxo-heptanoate CAS Name: (4R)-4-ethyl-4-ethynyl-7-oxoheptanoic acid methyl ester IUPAC Name: methyl (4R)-4-ethyl-4-ethynyl-7-oxoheptanoate Traditional Name: (4R)-4-ethyl-4-(3-ketopropyl)hex-5-ynoic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@](CCC=O)(CCC(=O)OC)C#C

InChI

InChI=1S/C12H18O3/c1-4-12(5-2,8-6-10-13)9-7-11(14)15-3/h1,10H,5-9H2,2-3H3/t12-/m0/s1