2,3,6,7,10-pentaoctoxy-11-octyl-triphenylene

Systemtic Name: 2,3,6,7,10-pentaoctoxy-11-octyl-triphenylene Openeye Name: 2,3,6,7,10-pentaoctoxy-11-octyl-triphenylene CAS Name: 2,3,6,7,10-pentaoctoxy-11-octyltriphenylene IUPAC Name: 2,3,6,7,10-pentaoctoxy-11-octyltriphenylene Traditional Name: 2,3,6,7,10-pentaoctoxy-11-octyl-triphenylene Formula: C66H108O5 MolecularWeight: 981.56072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C66H108O5/c1-7-13-19-25-31-37-43-55-49-56-57(50-62(55)67-44-38-32-26-20-14-8-2)59-52-64(69-46-40-34-28-22-16-10-4)66(71-48-42-36-30-24-18-12-6)54-61(59)60-53-65(70-47-41-35-29-23-17-11-5)63(51-58(56)60)68-45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3