2-(4-chloranyl-2-nitro-phenyl)sulfanylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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