2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxy-pyrene

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxy-pyrene Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxy-pyrene CAS Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxypyrene IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxypyrene Traditional Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-methoxy-pyrene Formula: C25H28O MolecularWeight: 348.513867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O/c1-24(2,3)18-12-15-8-9-17-14-20(25(4,5)6)23(26-7)19-11-10-16(13-18)21(15)22(17)19/h8-14H,1-7H3/i8D,9D,10D,11D