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

Systemtic Name: hexakis(4-heptylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-heptylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-heptylphenyl) ester IUPAC Name: hexakis(4-heptylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-heptylphenyl) ester Formula: C90H114O12 MolecularWeight: 1387.86096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCC

InChI

InChI=1S/C90H114O12/c1-7-13-19-25-31-37-67-43-55-73(56-44-67)97-85(91)79-80(86(92)98-74-57-45-68(46-58-74)38-32-26-20-14-8-2)82(88(94)100-76-61-49-70(50-62-76)40-34-28-22-16-10-4)84(90(96)102-78-65-53-72(54-66-78)42-36-30-24-18-12-6)83(89(95)101-77-63-51-71(52-64-77)41-35-29-23-17-11-5)81(79)87(93)99-75-59-47-69(48-60-75)39-33-27-21-15-9-3/h43-66H,7-42H2,1-6H3