2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene CAS Name: 2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene Traditional Name: 2,7-ditert-butyl-4,5,9,10-tetrakis[2-(4-methoxyphenyl)ethynyl]pyrene Formula: C60H50O4 MolecularWeight: 835.0366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C(=C(C4=CC(=CC(=C43)C(=C2C#CC5=CC=C(C=C5)OC)C#CC6=CC=C(C=C6)OC)C(C)(C)C)C#CC7=CC=C(C=C7)OC)C#CC8=CC=C(C=C8)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C3C(=C1)C(=C(C4=CC(=CC(=C43)C(=C2C#CC5=CC=C(C=C5)OC)C#CC6=CC=C(C=C6)OC)C(C)(C)C)C#CC7=CC=C(C=C7)OC)C#CC8=CC=C(C=C8)OC

InChI

InChI=1S/C60H50O4/c1-59(2,3)43-35-53-49(31-19-39-11-23-45(61-7)24-12-39)51(33-21-41-15-27-47(63-9)28-16-41)55-37-44(60(4,5)6)38-56-52(34-22-42-17-29-48(64-10)30-18-42)50(54(36-43)57(53)58(55)56)32-20-40-13-25-46(62-8)26-14-40/h11-18,23-30,35-38H,1-10H3