1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl butanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl butanoate Openeye Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl butanoate CAS Name: butanoic acid 1-(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)ethyl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)ethyl butanoate Traditional Name: butyric acid 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl ester Formula: C26H38O3 MolecularWeight: 398.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(C)OC(=O)CCC

InChI

InChI=1S/C26H38O3/c1-4-6-7-8-9-13-21-28-26(22(3)29-25(27)14-5-2)19-17-24(18-20-26)23-15-11-10-12-16-23/h10-12,15-20,22,24H,4-9,13-14,21H2,1-3H3