dodecyl 4-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: dodecyl 4-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: dodecyl 4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 4-(4-nitrophenyl)-4-oxobutanoic acid dodecyl ester IUPAC Name: dodecyl 4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitrophenyl)butyric acid lauryl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-8-9-10-11-18-28-22(25)17-16-21(24)19-12-14-20(15-13-19)23(26)27/h12-15H,2-11,16-18H2,1H3