1,5-bis(chloranyl)-2,3,6,7,10,11-hexahexoxy-triphenylene

Systemtic Name: 1,5-bis(chloranyl)-2,3,6,7,10,11-hexahexoxy-triphenylene Openeye Name: 1,5-dichloro-2,3,6,7,10,11-hexahexoxy-triphenylene CAS Name: 1,5-dichloro-2,3,6,7,10,11-hexahexoxytriphenylene IUPAC Name: 1,5-dichloro-2,3,6,7,10,11-hexahexoxytriphenylene Traditional Name: 1,5-dichloro-2,3,6,7,10,11-hexahexoxy-triphenylene Formula: C54H82Cl2O6 MolecularWeight: 898.13128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C(=C3C4=CC(=C(C(=C24)Cl)OCCCCCC)OCCCCCC)Cl)OCCCCCC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C(=C3C4=CC(=C(C(=C24)Cl)OCCCCCC)OCCCCCC)Cl)OCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C54H82Cl2O6/c1-7-13-19-25-31-57-45-37-41-42(38-46(45)58-32-26-20-14-8-2)49-44(40-48(60-34-28-22-16-10-4)54(51(49)55)62-36-30-24-18-12-6)50-43(41)39-47(59-33-27-21-15-9-3)53(52(50)56)61-35-29-23-17-11-5/h37-40H,7-36H2,1-6H3