4-[2,5-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoate

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoate Openeye Name: 4-(2,5-dichlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(2,5-dichlorophenyl)thio]-3-nitrobenzoate IUPAC Name: 4-(2,5-dichlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(2,5-dichlorophenyl)thio]-3-nitro-benzoate Formula: C13H6Cl2NO4S- MolecularWeight: 343.16204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H7Cl2NO4S/c14-8-2-3-9(15)12(6-8)21-11-4-1-7(13(17)18)5-10(11)16(19)20/h1-6H,(H,17,18)/p-1