[4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-butylbenzoate

Systemtic Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-butylbenzoate Openeye Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(5-octyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(5-octyl-1,3-dioxan-2-yl)phenyl] ester Formula: C29H40O4 MolecularWeight: 452.6255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C29H40O4/c1-3-5-7-8-9-10-12-24-21-31-29(32-22-24)26-17-19-27(20-18-26)33-28(30)25-15-13-23(14-16-25)11-6-4-2/h13-20,24,29H,3-12,21-22H2,1-2H3