[4-(2-methyloctoxycarbonyl)phenyl] 4-[4-(11-oxidanylundecyl)phenyl]benzoate

Systemtic Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-[4-(11-oxidanylundecyl)phenyl]benzoate Openeye Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-[4-(11-hydroxyundecyl)phenyl]benzoate CAS Name: 4-[4-(11-hydroxyundecyl)phenyl]benzoic acid [4-[2-methyloctoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-[4-(11-hydroxyundecyl)phenyl]benzoate Traditional Name: 4-[4-(11-hydroxyundecyl)phenyl]benzoic acid [4-(2-methyloctoxycarbonyl)phenyl] ester Formula: C40H54O5 MolecularWeight: 614.85376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCCCO

Isomeric SMILES

CCCCCCC(C)COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCCCO

InChI

InChI=1S/C40H54O5/c1-3-4-5-13-16-32(2)31-44-39(42)36-26-28-38(29-27-36)45-40(43)37-24-22-35(23-25-37)34-20-18-33(19-21-34)17-14-11-9-7-6-8-10-12-15-30-41/h18-29,32,41H,3-17,30-31H2,1-2H3