2-(2,6-dimethyl-8-nitro-octan-2-yl)phenol

Systemtic Name: 2-(2,6-dimethyl-8-nitro-octan-2-yl)phenol Openeye Name: 2-(1,1,5-trimethyl-7-nitro-heptyl)phenol CAS Name: 2-(2,6-dimethyl-8-nitrooctan-2-yl)phenol IUPAC Name: 2-(2,6-dimethyl-8-nitrooctan-2-yl)phenol Traditional Name: 2-(1,1,5-trimethyl-7-nitro-heptyl)phenol Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)C1=CC=CC=C1O)CC[N+](=O)[O-]

Isomeric SMILES

CC(CCCC(C)(C)C1=CC=CC=C1O)CC[N+](=O)[O-]

InChI

InChI=1S/C16H25NO3/c1-13(10-12-17(19)20)7-6-11-16(2,3)14-8-4-5-9-15(14)18/h4-5,8-9,13,18H,6-7,10-12H2,1-3H3