1-(3-nitro-4-oxidanyl-phenyl)dodecan-1-one

Systemtic Name: 1-(3-nitro-4-oxidanyl-phenyl)dodecan-1-one Openeye Name: 1-(4-hydroxy-3-nitro-phenyl)dodecan-1-one CAS Name: 1-(4-hydroxy-3-nitrophenyl)-1-dodecanone IUPAC Name: 1-(4-hydroxy-3-nitrophenyl)dodecan-1-one Traditional Name: 1-(4-hydroxy-3-nitro-phenyl)dodecan-1-one Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23/h12-14,21H,2-11H2,1H3