2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-4-phenylsulfanyl-benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-4-phenylsulfanyl-benzoic acid Openeye Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-4-phenylsulfanyl-benzoic acid CAS Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitro-4-(phenylthio)benzoic acid IUPAC Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitro-4-phenylsulfanylbenzoic acid Traditional Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-4-(phenylthio)benzoic acid Formula: C19H11ClFIN2O4S MolecularWeight: 544.722513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H11ClFIN2O4S/c20-13-8-10(22)6-7-14(13)23-17-12(19(25)26)9-15(24(27)28)18(16(17)21)29-11-4-2-1-3-5-11/h1-9,23H,(H,25,26)