3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4-methyl-benzoic acid Formula: C21H17NO8S MolecularWeight: 443.42658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H17NO8S/c1-13-3-4-15(21(23)24)11-20(13)31(27,28)30-19-10-7-16(22(25)26)12-18(19)14-5-8-17(29-2)9-6-14/h3-12H,1-2H3,(H,23,24)