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

Systemtic Name: hexakis(4-undecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-undecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-undecoxyphenyl) ester IUPAC Name: hexakis(4-undecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-undecoxyphenyl) ester Formula: C114H162O18 MolecularWeight: 1820.49528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCC

InChI

InChI=1S/C114H162O18/c1-7-13-19-25-31-37-43-49-55-85-121-91-61-73-97(74-62-91)127-109(115)103-104(110(116)128-98-75-63-92(64-76-98)122-86-56-50-44-38-32-26-20-14-8-2)106(112(118)130-100-79-67-94(68-80-100)124-88-58-52-46-40-34-28-22-16-10-4)108(114(120)132-102-83-71-96(72-84-102)126-90-60-54-48-42-36-30-24-18-12-6)107(113(119)131-101-81-69-95(70-82-101)125-89-59-53-47-41-35-29-23-17-11-5)105(103)111(117)129-99-77-65-93(66-78-99)123-87-57-51-45-39-33-27-21-15-9-3/h61-84H,7-60,85-90H2,1-6H3