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

Systemtic Name: 2,3,6,7,10,11-hexakis(3-methylnonoxy)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(3-methylnonoxy)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(3-methylnonoxy)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(3-methylnonoxy)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(3-methylnonoxy)triphenylene Formula: C78H132O6 MolecularWeight: 1165.87908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)CCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC)OCCC(C)CCCCCC

InChI

InChI=1S/C78H132O6/c1-13-19-25-31-37-61(7)43-49-79-73-55-67-68(56-74(73)80-50-44-62(8)38-32-26-20-14-2)70-58-76(82-52-46-64(10)40-34-28-22-16-4)78(84-54-48-66(12)42-36-30-24-18-6)60-72(70)71-59-77(83-53-47-65(11)41-35-29-23-17-5)75(57-69(67)71)81-51-45-63(9)39-33-27-21-15-3/h55-66H,13-54H2,1-12H3