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

Systemtic Name: hexakis(4-nonoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-nonoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-nonoxyphenyl) ester IUPAC Name: hexakis(4-nonoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-nonoxyphenyl) ester Formula: C102H138O18 MolecularWeight: 1652.17632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCC

InChI

InChI=1S/C102H138O18/c1-7-13-19-25-31-37-43-73-109-79-49-61-85(62-50-79)115-97(103)91-92(98(104)116-86-63-51-80(52-64-86)110-74-44-38-32-26-20-14-8-2)94(100(106)118-88-67-55-82(56-68-88)112-76-46-40-34-28-22-16-10-4)96(102(108)120-90-71-59-84(60-72-90)114-78-48-42-36-30-24-18-12-6)95(101(107)119-89-69-57-83(58-70-89)113-77-47-41-35-29-23-17-11-5)93(91)99(105)117-87-65-53-81(54-66-87)111-75-45-39-33-27-21-15-9-3/h49-72H,7-48,73-78H2,1-6H3