4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,2-dimethyl-thiane-3,5-dione

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)carbonyl-2,2-dimethyl-thiane-3,5-dione Openeye Name: 4-(4-chloro-2-nitro-benzoyl)-2,2-dimethyl-tetrahydrothiopyran-3,5-dione CAS Name: 4-[(4-chloro-2-nitrophenyl)-oxomethyl]-2,2-dimethylthiane-3,5-dione IUPAC Name: 4-(4-chloro-2-nitrobenzoyl)-2,2-dimethylthiane-3,5-dione Traditional Name: 4-(4-chloro-2-nitro-benzoyl)-2,2-dimethyl-tetrahydrothiopyran-3,5-quinone Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(C(=O)CS1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)C(C(=O)CS1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C14H12ClNO5S/c1-14(2)13(19)11(10(17)6-22-14)12(18)8-4-3-7(15)5-9(8)16(20)21/h3-5,11H,6H2,1-2H3