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

Systemtic Name: 3-(2-nitrophenyl)sulfanylhexane-2,4-dione Openeye Name: 3-(2-nitrophenyl)sulfanylhexane-2,4-dione CAS Name: 3-[(2-nitrophenyl)thio]hexane-2,4-dione IUPAC Name: 3-(2-nitrophenyl)sulfanylhexane-2,4-dione Traditional Name: 3-[(2-nitrophenyl)thio]hexane-2,4-dione Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-3-10(15)12(8(2)14)18-11-7-5-4-6-9(11)13(16)17/h4-7,12H,3H2,1-2H3