2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyl-triphenylene

Systemtic Name: 2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyl-triphenylene Openeye Name: 2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyl-triphenylene CAS Name: 2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyltriphenylene IUPAC Name: 2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyltriphenylene Traditional Name: 2,3,6,7,10,11-hexabutoxy-1,4,8-triphenyl-triphenylene Formula: C60H72O6 MolecularWeight: 889.21008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C3=C(C(=C(C=C3C4=C2C(=C(C(=C4C5=CC=CC=C5)OCCCC)OCCCC)C6=CC=CC=C6)OCCCC)OCCCC)C7=CC=CC=C7)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C3=C(C(=C(C=C3C4=C2C(=C(C(=C4C5=CC=CC=C5)OCCCC)OCCCC)C6=CC=CC=C6)OCCCC)OCCCC)C7=CC=CC=C7)OCCCC

InChI

InChI=1S/C60H72O6/c1-7-13-34-61-49-40-46-47(41-50(49)62-35-14-8-2)56-53(44-30-24-20-25-31-44)59(65-38-17-11-5)60(66-39-18-12-6)54(45-32-26-21-27-33-45)57(56)48-42-51(63-36-15-9-3)58(64-37-16-10-4)52(55(46)48)43-28-22-19-23-29-43/h19-33,40-42H,7-18,34-39H2,1-6H3