3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid

Systemtic Name: 3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid Openeye Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonylbenzoic acid CAS Name: 3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3-(2-benzyl-4-nitrophenoxy)sulfonylbenzoic acid Traditional Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonylbenzoic acid Formula: C20H15NO7S MolecularWeight: 413.4006

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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=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO7S/c22-20(23)15-7-4-8-18(13-15)29(26,27)28-19-10-9-17(21(24)25)12-16(19)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,22,23)