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

Systemtic Name: 2,3,6,7,10,11-hexakis(4-methylhexoxy)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-methylhexoxy)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-methylhexoxy)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-methylhexoxy)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-methylhexoxy)triphenylene Formula: C60H96O6 MolecularWeight: 913.40064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC

Isomeric SMILES

CCC(C)CCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC)OCCCC(C)CC

InChI

InChI=1S/C60H96O6/c1-13-43(7)25-19-31-61-55-37-49-50(38-56(55)62-32-20-26-44(8)14-2)52-40-58(64-34-22-28-46(10)16-4)60(66-36-24-30-48(12)18-6)42-54(52)53-41-59(65-35-23-29-47(11)17-5)57(39-51(49)53)63-33-21-27-45(9)15-3/h37-48H,13-36H2,1-12H3