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

Systemtic Name: hexakis(4-nonylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-nonylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-nonylphenyl) ester IUPAC Name: hexakis(4-nonylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-nonylphenyl) ester Formula: C102H138O12 MolecularWeight: 1556.17992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCC

InChI

InChI=1S/C102H138O12/c1-7-13-19-25-31-37-43-49-79-55-67-85(68-56-79)109-97(103)91-92(98(104)110-86-69-57-80(58-70-86)50-44-38-32-26-20-14-8-2)94(100(106)112-88-73-61-82(62-74-88)52-46-40-34-28-22-16-10-4)96(102(108)114-90-77-65-84(66-78-90)54-48-42-36-30-24-18-12-6)95(101(107)113-89-75-63-83(64-76-89)53-47-41-35-29-23-17-11-5)93(91)99(105)111-87-71-59-81(60-72-87)51-45-39-33-27-21-15-9-3/h55-78H,7-54H2,1-6H3