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

Systemtic Name: 2,3,6,7,10,11-hexakis(4-methylphenoxy)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-methylphenoxy)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-methylphenoxy)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-methylphenoxy)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-methylphenoxy)triphenylene Formula: C60H48O6 MolecularWeight: 865.01952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)OC6=CC=C(C=C6)C)OC7=CC=C(C=C7)C)OC8=CC=C(C=C8)C)OC9=CC=C(C=C9)C)OC1=CC=C(C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)OC6=CC=C(C=C6)C)OC7=CC=C(C=C7)C)OC8=CC=C(C=C8)C)OC9=CC=C(C=C9)C)OC1=CC=C(C=C1)C

InChI

InChI=1S/C60H48O6/c1-37-7-19-43(20-8-37)61-55-31-49-50(32-56(55)62-44-21-9-38(2)10-22-44)52-34-58(64-46-25-13-40(4)14-26-46)60(66-48-29-17-42(6)18-30-48)36-54(52)53-35-59(65-47-27-15-41(5)16-28-47)57(33-51(49)53)63-45-23-11-39(3)12-24-45/h7-36H,1-6H3