2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyrene

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyrene Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyrene CAS Name: 2,7-ditert-butyl-4,5,9,10-tetradeuteriopyrene IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetradeuteriopyrene Traditional Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyrene Formula: C24H26 MolecularWeight: 318.487887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C(C)(C)C

Isomeric SMILES

[2H]C1=C(C2=CC(=CC3=C2C4=C(C=C(C=C14)C(C)(C)C)C(=C3[2H])[2H])C(C)(C)C)[2H]

InChI

InChI=1S/C24H26/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3/i7D,8D,9D,10D