[4-(2-heptanoyloxypropanoyl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-hexylbenzoate Openeye Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[1-oxo-2-(1-oxoheptoxy)propyl]phenyl] ester IUPAC Name: [4-(2-heptanoyloxypropanoyl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(2-enanthyloxypropanoyl)phenyl] ester Formula: C29H38O5 MolecularWeight: 466.60902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C(C)OC(=O)CCCCCC

InChI

InChI=1S/C29H38O5/c1-4-6-8-10-12-23-14-16-25(17-15-23)29(32)34-26-20-18-24(19-21-26)28(31)22(3)33-27(30)13-11-9-7-5-2/h14-22H,4-13H2,1-3H3