4-chloranyl-3-[2-(5-chloranyl-2-nitro-phenyl)-4-oxidanyl-4-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(5-chloranyl-2-nitro-phenyl)-4-oxidanyl-4-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[1-(5-chloro-2-nitro-phenyl)-3-hydroxy-1-methyl-3-oxo-propyl]benzoic acid CAS Name: 4-chloro-3-[2-(5-chloro-2-nitrophenyl)-4-hydroxy-4-oxobutan-2-yl]benzoic acid IUPAC Name: 4-chloro-3-[2-(5-chloro-2-nitrophenyl)-4-hydroxy-4-oxobutan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[1-(5-chloro-2-nitro-phenyl)-3-hydroxy-3-keto-1-methyl-propyl]benzoic acid Formula: C17H13Cl2NO6 MolecularWeight: 398.19422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2NO6/c1-17(8-15(21)22,11-6-9(16(23)24)2-4-13(11)19)12-7-10(18)3-5-14(12)20(25)26/h2-7H,8H2,1H3,(H,21,22)(H,23,24)