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

Systemtic Name: hexakis(4-decoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-decoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-decoxyphenyl) ester IUPAC Name: hexakis(4-decoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-decoxyphenyl) ester Formula: C108H150O18 MolecularWeight: 1736.3358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCC

InChI

InChI=1S/C108H150O18/c1-7-13-19-25-31-37-43-49-79-115-85-55-67-91(68-56-85)121-103(109)97-98(104(110)122-92-69-57-86(58-70-92)116-80-50-44-38-32-26-20-14-8-2)100(106(112)124-94-73-61-88(62-74-94)118-82-52-46-40-34-28-22-16-10-4)102(108(114)126-96-77-65-90(66-78-96)120-84-54-48-42-36-30-24-18-12-6)101(107(113)125-95-75-63-89(64-76-95)119-83-53-47-41-35-29-23-17-11-5)99(97)105(111)123-93-71-59-87(60-72-93)117-81-51-45-39-33-27-21-15-9-3/h55-78H,7-54,79-84H2,1-6H3