4-chloranyl-3-(2-nitrophenyl)sulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(2-nitrophenyl)sulfanyl-benzoic acid Openeye Name: 4-chloro-3-(2-nitrophenyl)sulfanyl-benzoic acid CAS Name: 4-chloro-3-[(2-nitrophenyl)thio]benzoic acid IUPAC Name: 4-chloro-3-(2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-chloro-3-[(2-nitrophenyl)thio]benzoic acid Formula: C13H8ClNO4S MolecularWeight: 309.72492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClNO4S/c14-9-6-5-8(13(16)17)7-12(9)20-11-4-2-1-3-10(11)15(18)19/h1-7H,(H,16,17)