2-tert-butyl-6,8-dimethyl-1-nitro-pyrene

Systemtic Name: 2-tert-butyl-6,8-dimethyl-1-nitro-pyrene Openeye Name: 2-tert-butyl-6,8-dimethyl-1-nitro-pyrene CAS Name: 2-tert-butyl-6,8-dimethyl-1-nitropyrene IUPAC Name: 2-tert-butyl-6,8-dimethyl-1-nitropyrene Traditional Name: 2-tert-butyl-6,8-dimethyl-1-nitro-pyrene Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC3=C4C2=C1C=CC4=CC(=C3[N+](=O)[O-])C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C=CC3=C4C2=C1C=CC4=CC(=C3[N+](=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C22H21NO2/c1-12-10-13(2)16-8-9-17-19-14(6-7-15(12)20(16)19)11-18(22(3,4)5)21(17)23(24)25/h6-11H,1-5H3