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

Systemtic Name: 2,3,6,7,10,11-hexakis(3,4-dihexoxyphenyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(3,4-dihexoxyphenyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(3,4-dihexoxyphenyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(3,4-dihexoxyphenyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(3,4-dihexoxyphenyl)triphenylene Formula: C126H180O12 MolecularWeight: 1886.7702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC(=C(C=C6)OCCCCCC)OCCCCCC)C7=CC(=C(C=C7)OCCCCCC)OCCCCCC)C8=CC(=C(C=C8)OCCCCCC)OCCCCCC)C9=CC(=C(C=C9)OCCCCCC)OCCCCCC)C1=CC(=C(C=C1)OCCCCCC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC(=C(C=C6)OCCCCCC)OCCCCCC)C7=CC(=C(C=C7)OCCCCCC)OCCCCCC)C8=CC(=C(C=C8)OCCCCCC)OCCCCCC)C9=CC(=C(C=C9)OCCCCCC)OCCCCCC)C1=CC(=C(C=C1)OCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C126H180O12/c1-13-25-37-49-73-127-115-67-61-97(85-121(115)133-79-55-43-31-19-7)103-91-109-110(92-104(103)98-62-68-116(128-74-50-38-26-14-2)122(86-98)134-80-56-44-32-20-8)112-94-106(100-64-70-118(130-76-52-40-28-16-4)124(88-100)136-82-58-46-34-22-10)108(102-66-72-120(132-78-54-42-30-18-6)126(90-102)138-84-60-48-36-24-12)96-114(112)113-95-107(101-65-71-119(131-77-53-41-29-17-5)125(89-101)137-83-59-47-35-23-11)105(93-111(109)113)99-63-69-117(129-75-51-39-27-15-3)123(87-99)135-81-57-45-33-21-9/h61-72,85-96H,13-60,73-84H2,1-12H3