hexakis(4-octylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate

Systemtic Name: hexakis(4-octylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-octylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-octylphenyl) ester IUPAC Name: hexakis(4-octylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-octylphenyl) ester Formula: C96H126O12 MolecularWeight: 1472.02044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCC

InChI

InChI=1S/C96H126O12/c1-7-13-19-25-31-37-43-73-49-61-79(62-50-73)103-91(97)85-86(92(98)104-80-63-51-74(52-64-80)44-38-32-26-20-14-8-2)88(94(100)106-82-67-55-76(56-68-82)46-40-34-28-22-16-10-4)90(96(102)108-84-71-59-78(60-72-84)48-42-36-30-24-18-12-6)89(95(101)107-83-69-57-77(58-70-83)47-41-35-29-23-17-11-5)87(85)93(99)105-81-65-53-75(54-66-81)45-39-33-27-21-15-9-3/h49-72H,7-48H2,1-6H3