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

Systemtic Name: hexakis(4-tridecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-tridecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-tridecoxyphenyl) ester IUPAC Name: hexakis(4-tridecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-tridecoxyphenyl) ester Formula: C126H186O18 MolecularWeight: 1988.81424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCCCC

InChI

InChI=1S/C126H186O18/c1-7-13-19-25-31-37-43-49-55-61-67-97-133-103-73-85-109(86-74-103)139-121(127)115-116(122(128)140-110-87-75-104(76-88-110)134-98-68-62-56-50-44-38-32-26-20-14-8-2)118(124(130)142-112-91-79-106(80-92-112)136-100-70-64-58-52-46-40-34-28-22-16-10-4)120(126(132)144-114-95-83-108(84-96-114)138-102-72-66-60-54-48-42-36-30-24-18-12-6)119(125(131)143-113-93-81-107(82-94-113)137-101-71-65-59-53-47-41-35-29-23-17-11-5)117(115)123(129)141-111-89-77-105(78-90-111)135-99-69-63-57-51-45-39-33-27-21-15-9-3/h73-96H,7-72,97-102H2,1-6H3