2-tert-butyl-4-ethyl-6-nitro-phenolate

Systemtic Name: 2-tert-butyl-4-ethyl-6-nitro-phenolate Openeye Name: 2-tert-butyl-4-ethyl-6-nitro-phenolate CAS Name: 2-tert-butyl-4-ethyl-6-nitrophenolate IUPAC Name: 2-tert-butyl-4-ethyl-6-nitrophenolate Traditional Name: 2-tert-butyl-4-ethyl-6-nitro-phenolate Formula: C12H16NO3- MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C(C)(C)C

InChI

InChI=1S/C12H17NO3/c1-5-8-6-9(12(2,3)4)11(14)10(7-8)13(15)16/h6-7,14H,5H2,1-4H3/p-1