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2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene

2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene

Systemtic Name:2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene
Openeye Name:2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene
CAS Name:2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene
IUPAC Name:2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene
Traditional Name:2,7-ditert-butyl-9,10,11,12-tetrakis(4-tert-butylphenyl)benzo[e]pyrene
Formula: C68H76
MolecularWeight: 893.33104
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=C(C4=C5C(=CC(=C4)C(C)(C)C)C=CC6=CC(=CC3=C65)C(C)(C)C)C(=C2C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=C(C4=C5C(=CC(=C4)C(C)(C)C)C=CC6=CC(=CC3=C65)C(C)(C)C)C(=C2C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C


InChI

InChI=1S/C68H76/c1-63(2,3)47-29-21-41(22-30-47)57-58(42-23-31-48(32-24-42)64(4,5)6)60(44-27-35-50(36-28-44)66(10,11)12)62-54-40-52(68(16,17)18)38-46-20-19-45-37-51(67(13,14)15)39-53(55(45)56(46)54)61(62)59(57)43-25-33-49(34-26-43)65(7,8)9/h19-40H,1-18H3


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