5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-methyl-benzoic acid Formula: C21H17NO8S MolecularWeight: 443.42658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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