(4-dodecylphenyl)-(3-nitro-2-oxidanyl-phenyl)methanone

Systemtic Name: (4-dodecylphenyl)-(3-nitro-2-oxidanyl-phenyl)methanone Openeye Name: (4-dodecylphenyl)-(2-hydroxy-3-nitro-phenyl)methanone CAS Name: (4-dodecylphenyl)-(2-hydroxy-3-nitrophenyl)methanone IUPAC Name: (4-dodecylphenyl)-(2-hydroxy-3-nitrophenyl)methanone Traditional Name: (2-hydroxy-3-nitro-phenyl)-(4-laurylphenyl)methanone Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-8-9-10-11-13-20-16-18-21(19-17-20)24(27)22-14-12-15-23(25(22)28)26(29)30/h12,14-19,28H,2-11,13H2,1H3