methyl (E)-6-(4-octoxyphenyl)hex-5-enoate

Systemtic Name: methyl (E)-6-(4-octoxyphenyl)hex-5-enoate Openeye Name: methyl (E)-6-(4-octoxyphenyl)hex-5-enoate CAS Name: (E)-6-(4-octoxyphenyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(4-octoxyphenyl)hex-5-enoate Traditional Name: (E)-6-(4-octoxyphenyl)hex-5-enoic acid methyl ester Formula: C21H32O3 MolecularWeight: 332.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/CCCC(=O)OC

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-11-18-24-20-16-14-19(15-17-20)12-9-8-10-13-21(22)23-2/h9,12,14-17H,3-8,10-11,13,18H2,1-2H3/b12-9+