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

Systemtic Name: hexakis(4-octoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-octoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-octoxyphenyl) ester IUPAC Name: hexakis(4-octoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-octoxyphenyl) ester Formula: C96H126O18 MolecularWeight: 1568.01684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCC

InChI

InChI=1S/C96H126O18/c1-7-13-19-25-31-37-67-103-73-43-55-79(56-44-73)109-91(97)85-86(92(98)110-80-57-45-74(46-58-80)104-68-38-32-26-20-14-8-2)88(94(100)112-82-61-49-76(50-62-82)106-70-40-34-28-22-16-10-4)90(96(102)114-84-65-53-78(54-66-84)108-72-42-36-30-24-18-12-6)89(95(101)113-83-63-51-77(52-64-83)107-71-41-35-29-23-17-11-5)87(85)93(99)111-81-59-47-75(48-60-81)105-69-39-33-27-21-15-9-3/h43-66H,7-42,67-72H2,1-6H3