(4-octan-2-yloxyphenyl) 2-(4-nonanoyloxyphenyl)benzoate

Systemtic Name: (4-octan-2-yloxyphenyl) 2-(4-nonanoyloxyphenyl)benzoate Openeye Name: [4-(1-methylheptoxy)phenyl] 2-(4-nonanoyloxyphenyl)benzoate CAS Name: 2-[4-(1-oxononoxy)phenyl]benzoic acid (4-octan-2-yloxyphenyl) ester IUPAC Name: (4-octan-2-yloxyphenyl) 2-(4-nonanoyloxyphenyl)benzoate Traditional Name: 2-(4-pelargonyloxyphenyl)benzoic acid [4-(1-methylheptoxy)phenyl] ester Formula: C36H46O5 MolecularWeight: 558.74744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=C(C=C3)OC(C)CCCCCC

InChI

InChI=1S/C36H46O5/c1-4-6-8-10-11-13-19-35(37)40-31-22-20-29(21-23-31)33-17-14-15-18-34(33)36(38)41-32-26-24-30(25-27-32)39-28(3)16-12-9-7-5-2/h14-15,17-18,20-28H,4-13,16,19H2,1-3H3