(2-octylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate

Systemtic Name: (2-octylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate Openeye Name: (2-octylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-heptoxyethyl)phenyl]benzoic acid (2-octylphenyl) ester IUPAC Name: (2-octylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-heptoxyethyl)phenyl]benzoic acid (2-octylphenyl) ester Formula: C36H48O3 MolecularWeight: 528.76452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCC

InChI

InChI=1S/C36H48O3/c1-4-6-8-10-11-13-17-33-18-14-15-19-35(33)39-36(37)34-26-24-32(25-27-34)31-22-20-30(21-23-31)29(3)38-28-16-12-9-7-5-2/h14-15,18-27,29H,4-13,16-17,28H2,1-3H3