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

Systemtic Name: 3-[4-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-(2-benzyl-4-nitro-phenoxy)sulfonylphenyl]propanoic acid CAS Name: 3-[4-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-(2-benzyl-4-nitrophenoxy)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(2-benzyl-4-nitro-phenoxy)sulfonylphenyl]propionic acid Formula: C22H19NO7S MolecularWeight: 441.45376

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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=C(C=C3)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO7S/c24-22(25)13-8-16-6-10-20(11-7-16)31(28,29)30-21-12-9-19(23(26)27)15-18(21)14-17-4-2-1-3-5-17/h1-7,9-12,15H,8,13-14H2,(H,24,25)