bis[1,5-bis(3-hexyl-4-oxidanyl-phenyl)pentan-3-yl] benzene-1,2-dicarboxylate

Systemtic Name: bis[1,5-bis(3-hexyl-4-oxidanyl-phenyl)pentan-3-yl] benzene-1,2-dicarboxylate Openeye Name: bis[3-(3-hexyl-4-hydroxy-phenyl)-1-[2-(3-hexyl-4-hydroxy-phenyl)ethyl]propyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[1,5-bis(3-hexyl-4-hydroxyphenyl)pentan-3-yl] ester IUPAC Name: bis[1,5-bis(3-hexyl-4-hydroxyphenyl)pentan-3-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[3-(3-hexyl-4-hydroxy-phenyl)-1-[2-(3-hexyl-4-hydroxy-phenyl)ethyl]propyl] ester Formula: C66H90O8 MolecularWeight: 1011.416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)CCC(CCC2=CC(=C(C=C2)O)CCCCCC)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C=C4)O)CCCCCC)CCC5=CC(=C(C=C5)O)CCCCCC)O

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)CCC(CCC2=CC(=C(C=C2)O)CCCCCC)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C=C4)O)CCCCCC)CCC5=CC(=C(C=C5)O)CCCCCC)O

InChI

InChI=1S/C66H90O8/c1-5-9-13-17-23-53-45-49(33-41-61(53)67)29-37-57(38-30-50-34-42-62(68)54(46-50)24-18-14-10-6-2)73-65(71)59-27-21-22-28-60(59)66(72)74-58(39-31-51-35-43-63(69)55(47-51)25-19-15-11-7-3)40-32-52-36-44-64(70)56(48-52)26-20-16-12-8-4/h21-22,27-28,33-36,41-48,57-58,67-70H,5-20,23-26,29-32,37-40H2,1-4H3