4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3-(2-benzyl-4-nitrophenoxy)sulfonyl-4-methoxybenzoic acid Traditional Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-methoxy-benzoic acid Formula: C21H17NO8S MolecularWeight: 443.42658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H17NO8S/c1-29-19-9-7-15(21(23)24)13-20(19)31(27,28)30-18-10-8-17(22(25)26)12-16(18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,24)