methyl 3-(2-oct-1-ynylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(2-oct-1-ynylphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(2-oct-1-ynylphenyl)-3-oxo-propanoate CAS Name: 3-(2-oct-1-ynylphenyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(2-oct-1-ynylphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-oct-1-ynylphenyl)propionic acid methyl ester Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=CC=C1C(=O)CC(=O)OC

Isomeric SMILES

CCCCCCC#CC1=CC=CC=C1C(=O)CC(=O)OC

InChI

InChI=1S/C18H22O3/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17(19)14-18(20)21-2/h9-10,12-13H,3-7,14H2,1-2H3