2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate

Systemtic Name: 2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate Openeye Name: 2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate CAS Name: 2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate IUPAC Name: 2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate Traditional Name: 2-(4-heptylphenyl)-4-(4-octoxyphenyl)benzoate Formula: C34H43O3- MolecularWeight: 499.70342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C34H44O3/c1-3-5-7-9-11-13-25-37-31-22-19-28(20-23-31)30-21-24-32(34(35)36)33(26-30)29-17-15-27(16-18-29)14-12-10-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3,(H,35,36)/p-1