methyl 3-(2-methyl-7-oxidanylidene-oxepan-2-yl)propanoate

Systemtic Name: methyl 3-(2-methyl-7-oxidanylidene-oxepan-2-yl)propanoate Openeye Name: methyl 3-(2-methyl-7-oxo-oxepan-2-yl)propanoate CAS Name: 3-(2-methyl-7-oxo-2-oxepanyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-7-oxooxepan-2-yl)propanoate Traditional Name: 3-(7-keto-2-methyl-oxepan-2-yl)propionic acid methyl ester Formula: C11H18O4 MolecularWeight: 214.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC(=O)O1)CCC(=O)OC

Isomeric SMILES

CC1(CCCCC(=O)O1)CCC(=O)OC

InChI

InChI=1S/C11H18O4/c1-11(8-6-9(12)14-2)7-4-3-5-10(13)15-11/h3-8H2,1-2H3