(5-dodecyl-3-nitro-2-oxidanyl-phenyl)-phenyl-methanone

Systemtic Name: (5-dodecyl-3-nitro-2-oxidanyl-phenyl)-phenyl-methanone Openeye Name: (5-dodecyl-2-hydroxy-3-nitro-phenyl)-phenyl-methanone CAS Name: (5-dodecyl-2-hydroxy-3-nitrophenyl)-phenylmethanone IUPAC Name: (5-dodecyl-2-hydroxy-3-nitrophenyl)-phenylmethanone Traditional Name: (2-hydroxy-5-lauryl-3-nitro-phenyl)-phenyl-methanone Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)C2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-8-9-10-12-15-20-18-22(25(28)23(19-20)26(29)30)24(27)21-16-13-11-14-17-21/h11,13-14,16-19,28H,2-10,12,15H2,1H3