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

Systemtic Name: hexakis(4-decylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-decylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-decylphenyl) ester IUPAC Name: hexakis(4-decylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-decylphenyl) ester Formula: C108H150O12 MolecularWeight: 1640.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCC

InChI

InChI=1S/C108H150O12/c1-7-13-19-25-31-37-43-49-55-85-61-73-91(74-62-85)115-103(109)97-98(104(110)116-92-75-63-86(64-76-92)56-50-44-38-32-26-20-14-8-2)100(106(112)118-94-79-67-88(68-80-94)58-52-46-40-34-28-22-16-10-4)102(108(114)120-96-83-71-90(72-84-96)60-54-48-42-36-30-24-18-12-6)101(107(113)119-95-81-69-89(70-82-95)59-53-47-41-35-29-23-17-11-5)99(97)105(111)117-93-77-65-87(66-78-93)57-51-45-39-33-27-21-15-9-3/h61-84H,7-60H2,1-6H3