3-(2-nitrophenyl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(2-nitrophenyl)sulfanylpentane-2,4-dione Openeye Name: 3-(2-nitrophenyl)sulfanylpentane-2,4-dione CAS Name: 3-[(2-nitrophenyl)thio]pentane-2,4-dione IUPAC Name: 3-(2-nitrophenyl)sulfanylpentane-2,4-dione Traditional Name: 3-[(2-nitrophenyl)thio]pentane-2,4-dione Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4S/c1-7(13)11(8(2)14)17-10-6-4-3-5-9(10)12(15)16/h3-6,11H,1-2H3