2,6-ditert-butyl-4-(2-nitropentan-3-yl)phenol

Systemtic Name: 2,6-ditert-butyl-4-(2-nitropentan-3-yl)phenol Openeye Name: 2,6-ditert-butyl-4-(1-ethyl-2-nitro-propyl)phenol CAS Name: 2,6-ditert-butyl-4-(2-nitropentan-3-yl)phenol IUPAC Name: 2,6-ditert-butyl-4-(2-nitropentan-3-yl)phenol Traditional Name: 2,6-ditert-butyl-4-(1-ethyl-2-nitro-propyl)phenol Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO3/c1-9-14(12(2)20(22)23)13-10-15(18(3,4)5)17(21)16(11-13)19(6,7)8/h10-12,14,21H,9H2,1-8H3