2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-undecoxyphenyl)triphenylene Formula: C120H168O6 MolecularWeight: 1706.61432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)OCCCCCCCCCCC)C7=CC=C(C=C7)OCCCCCCCCCCC)C8=CC=C(C=C8)OCCCCCCCCCCC)C9=CC=C(C=C9)OCCCCCCCCCCC)C1=CC=C(C=C1)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)OCCCCCCCCCCC)C7=CC=C(C=C7)OCCCCCCCCCCC)C8=CC=C(C=C8)OCCCCCCCCCCC)C9=CC=C(C=C9)OCCCCCCCCCCC)C1=CC=C(C=C1)OCCCCCCCCCCC

InChI

InChI=1S/C120H168O6/c1-7-13-19-25-31-37-43-49-55-85-121-103-73-61-97(62-74-103)109-91-115-116(92-110(109)98-63-75-104(76-64-98)122-86-56-50-44-38-32-26-20-14-8-2)118-94-112(100-67-79-106(80-68-100)124-88-58-52-46-40-34-28-22-16-10-4)114(102-71-83-108(84-72-102)126-90-60-54-48-42-36-30-24-18-12-6)96-120(118)119-95-113(101-69-81-107(82-70-101)125-89-59-53-47-41-35-29-23-17-11-5)111(93-117(115)119)99-65-77-105(78-66-99)123-87-57-51-45-39-33-27-21-15-9-3/h61-84,91-96H,7-60,85-90H2,1-6H3