6-chloranyl-2-[(4-methylsulfanylphenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-[(4-methylsulfanylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(4-methylsulfanylanilino)-3-nitro-benzoic acid CAS Name: 6-chloro-2-[4-(methylthio)anilino]-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(4-methylsulfanylanilino)-3-nitrobenzoic acid Traditional Name: 6-chloro-2-[4-(methylthio)anilino]-3-nitro-benzoic acid Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O4S/c1-22-9-4-2-8(3-5-9)16-13-11(17(20)21)7-6-10(15)12(13)14(18)19/h2-7,16H,1H3,(H,18,19)