bis(3,7-dimethyloctyl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis(3,7-dimethyloctyl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis(3,7-dimethyloctyl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis(3,7-dimethyloctyl) ester IUPAC Name: bis(3,7-dimethyloctyl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis(3,7-dimethyloctyl) ester Formula: C40H54O4 MolecularWeight: 598.85436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC(=O)C1=CC=CC(=C1C(=O)OCCC(C)CCCC(C)C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCC(C)CCOC(=O)C1=CC=CC(=C1C(=O)OCCC(C)CCCC(C)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C40H54O4/c1-29(2)13-10-15-31(5)25-27-43-39(41)37-20-12-19-36(35-23-21-34(22-24-35)33-17-8-7-9-18-33)38(37)40(42)44-28-26-32(6)16-11-14-30(3)4/h7-9,12,17-24,29-32H,10-11,13-16,25-28H2,1-6H3