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

Systemtic Name: 3-(4-nitrophenyl)sulfanylhexane-2,4-dione Openeye Name: 3-(4-nitrophenyl)sulfanylhexane-2,4-dione CAS Name: 3-[(4-nitrophenyl)thio]hexane-2,4-dione IUPAC Name: 3-(4-nitrophenyl)sulfanylhexane-2,4-dione Traditional Name: 3-[(4-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=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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