2,4-bis(chloranyl)-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2,4-dichloro-benzoic acid CAS Name: 2,4-dichloro-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 5-(2-benzyl-4-nitrophenoxy)sulfonyl-2,4-dichlorobenzoic acid Traditional Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2,4-dichloro-benzoic acid Formula: C20H13Cl2NO7S MolecularWeight: 482.29072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C20H13Cl2NO7S/c21-16-11-17(22)19(10-15(16)20(24)25)31(28,29)30-18-7-6-14(23(26)27)9-13(18)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,24,25)