2-dodecyl-1-(3-nitrophenyl)butane-1,3-dione

Systemtic Name: 2-dodecyl-1-(3-nitrophenyl)butane-1,3-dione Openeye Name: 2-dodecyl-1-(3-nitrophenyl)butane-1,3-dione CAS Name: 2-dodecyl-1-(3-nitrophenyl)butane-1,3-dione IUPAC Name: 2-dodecyl-1-(3-nitrophenyl)butane-1,3-dione Traditional Name: 2-lauryl-1-(3-nitrophenyl)butane-1,3-dione Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4/c1-3-4-5-6-7-8-9-10-11-12-16-21(18(2)24)22(25)19-14-13-15-20(17-19)23(26)27/h13-15,17,21H,3-12,16H2,1-2H3