1-[3,5-bis[6-(2-ethylhexoxy)pyren-1-yl]phenyl]-6-(2-ethylhexoxy)pyrene

Systemtic Name: 1-[3,5-bis[6-(2-ethylhexoxy)pyren-1-yl]phenyl]-6-(2-ethylhexoxy)pyrene Openeye Name: 1-[3,5-bis[6-(2-ethylhexoxy)pyren-1-yl]phenyl]-6-(2-ethylhexoxy)pyrene CAS Name: 1-[3,5-bis[6-(2-ethylhexoxy)-1-pyrenyl]phenyl]-6-(2-ethylhexoxy)pyrene IUPAC Name: 1-[3,5-bis[6-(2-ethylhexoxy)pyren-1-yl]phenyl]-6-(2-ethylhexoxy)pyrene Traditional Name: 1-[3,5-bis[6-(2-ethylhexoxy)pyren-1-yl]phenyl]-6-(2-ethylhexoxy)pyrene Formula: C78H78O3 MolecularWeight: 1063.45212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)C5=CC(=CC(=C5)C6=C7C=CC8=C9C7=C(C=C6)C=CC9=C(C=C8)OCC(CC)CCCC)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)OCC(CC)CCCC)C=C1

Isomeric SMILES

CCCCC(CC)COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)C5=CC(=CC(=C5)C6=C7C=CC8=C9C7=C(C=C6)C=CC9=C(C=C8)OCC(CC)CCCC)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)OCC(CC)CCCC)C=C1

InChI

InChI=1S/C78H78O3/c1-7-13-16-49(10-4)46-79-70-40-28-55-22-34-64-61(31-19-52-25-37-67(70)76(55)73(52)64)58-43-59(62-32-20-53-26-38-68-71(80-47-50(11-5)17-14-8-2)41-29-56-23-35-65(62)74(53)77(56)68)45-60(44-58)63-33-21-54-27-39-69-72(81-48-51(12-6)18-15-9-3)42-30-57-24-36-66(63)75(54)78(57)69/h19-45,49-51H,7-18,46-48H2,1-6H3