dimethyl 4-[2-[3-(3-oxidanylidenepropyl)phenyl]ethyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[2-[3-(3-oxidanylidenepropyl)phenyl]ethyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[2-[3-(3-oxopropyl)phenyl]ethyl]benzene-1,2-dicarboxylate CAS Name: 4-[2-[3-(3-oxopropyl)phenyl]ethyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[3-(3-oxopropyl)phenyl]ethyl]benzene-1,2-dicarboxylate Traditional Name: 4-[2-[3-(3-ketopropyl)phenyl]ethyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CCC2=CC(=CC=C2)CCC=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CCC2=CC(=CC=C2)CCC=O)C(=O)OC

InChI

InChI=1S/C21H22O5/c1-25-20(23)18-11-10-17(14-19(18)21(24)26-2)9-8-16-6-3-5-15(13-16)7-4-12-22/h3,5-6,10-14H,4,7-9H2,1-2H3