4-(2,6-dimethyl-8-nitro-octan-2-yl)phenol

Systemtic Name: 4-(2,6-dimethyl-8-nitro-octan-2-yl)phenol Openeye Name: 4-(1,1,5-trimethyl-7-nitro-heptyl)phenol CAS Name: 4-(2,6-dimethyl-8-nitrooctan-2-yl)phenol IUPAC Name: 4-(2,6-dimethyl-8-nitrooctan-2-yl)phenol Traditional Name: 4-(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=C(C=C1)O)CC[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-13(10-12-17(19)20)5-4-11-16(2,3)14-6-8-15(18)9-7-14/h6-9,13,18H,4-5,10-12H2,1-3H3