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

Systemtic Name: hexakis(4-heptoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-heptoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-heptoxyphenyl) ester IUPAC Name: hexakis(4-heptoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-heptoxyphenyl) ester Formula: C90H114O18 MolecularWeight: 1483.85736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCC

InChI

InChI=1S/C90H114O18/c1-7-13-19-25-31-61-97-67-37-49-73(50-38-67)103-85(91)79-80(86(92)104-74-51-39-68(40-52-74)98-62-32-26-20-14-8-2)82(88(94)106-76-55-43-70(44-56-76)100-64-34-28-22-16-10-4)84(90(96)108-78-59-47-72(48-60-78)102-66-36-30-24-18-12-6)83(89(95)107-77-57-45-71(46-58-77)101-65-35-29-23-17-11-5)81(79)87(93)105-75-53-41-69(42-54-75)99-63-33-27-21-15-9-3/h37-60H,7-36,61-66H2,1-6H3