2-(4-chlorophenyl)sulfanyl-3,5-dinitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-3,5-dinitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanyl-3,5-dinitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-3,5-dinitrobenzoate IUPAC Name: 2-(4-chlorophenyl)sulfanyl-3,5-dinitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-3,5-dinitro-benzoate Formula: C13H6ClN2O6S- MolecularWeight: 353.71454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H7ClN2O6S/c14-7-1-3-9(4-2-7)23-12-10(13(17)18)5-8(15(19)20)6-11(12)16(21)22/h1-6H,(H,17,18)/p-1