2-(2-chloranyl-4-nitro-phenyl)carbonylthian-3-one

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)carbonylthian-3-one Openeye Name: 2-(2-chloro-4-nitro-benzoyl)tetrahydrothiopyran-3-one CAS Name: 2-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-thianone IUPAC Name: 2-(2-chloro-4-nitrobenzoyl)thian-3-one Traditional Name: 2-(2-chloro-4-nitro-benzoyl)tetrahydrothiopyran-3-one Formula: C12H10ClNO4S MolecularWeight: 299.7301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(SC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(=O)C(SC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClNO4S/c13-9-6-7(14(17)18)3-4-8(9)11(16)12-10(15)2-1-5-19-12/h3-4,6,12H,1-2,5H2