S-(3-chloranyl-2-methyl-3-oxidanylidene-propyl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(3-chloranyl-2-methyl-3-oxidanylidene-propyl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(3-chloro-2-methyl-3-oxo-propyl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(3-chloro-2-methyl-3-oxopropyl) ester IUPAC Name: S-(3-chloro-2-methyl-3-oxopropyl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(3-chloro-3-keto-2-methyl-propyl) ester Formula: C11H9ClN2O6S MolecularWeight: 332.71696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN2O6S/c1-6(10(12)15)5-21-11(16)7-2-8(13(17)18)4-9(3-7)14(19)20/h2-4,6H,5H2,1H3