4-chloranyl-3-[(2R)-2-(5-chloranyl-2-nitro-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2R)-2-(5-chloranyl-2-nitro-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[(1R)-1-(5-chloro-2-nitro-phenyl)-2-hydroxy-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-chloro-3-[(2R)-2-(5-chloro-2-nitrophenyl)-1-hydroxy-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-chloro-3-[(2R)-2-(5-chloro-2-nitrophenyl)-1-hydroxy-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[(1R)-1-(5-chloro-2-nitro-phenyl)-2-hydroxy-2-keto-1-methyl-ethyl]benzoic acid Formula: C16H11Cl2NO6 MolecularWeight: 384.16764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2NO6/c1-16(15(22)23,10-6-8(14(20)21)2-4-12(10)18)11-7-9(17)3-5-13(11)19(24)25/h2-7H,1H3,(H,20,21)(H,22,23)/t16-/m0/s1