3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-4,5-dimethyl-benzoic acid Formula: C22H19NO8S MolecularWeight: 457.45316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO8S/c1-13-10-16(22(24)25)11-21(14(13)2)32(28,29)31-20-9-6-17(23(26)27)12-19(20)15-4-7-18(30-3)8-5-15/h4-12H,1-3H3,(H,24,25)