4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione

Systemtic Name: 4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione Openeye Name: 4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione CAS Name: 4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione IUPAC Name: 4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione Traditional Name: 4-[6-(2-nitrophenyl)hexyl]heptane-3,5-dione Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCC1=CC=CC=C1[N+](=O)[O-])C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCC1=CC=CC=C1[N+](=O)[O-])C(=O)CC

InChI

InChI=1S/C19H27NO4/c1-3-18(21)16(19(22)4-2)13-8-6-5-7-11-15-12-9-10-14-17(15)20(23)24/h9-10,12,14,16H,3-8,11,13H2,1-2H3