3-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-[(4-methoxy-2-nitrophenyl)sulfamoyl]-3,5-dimethylphenoxy]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[(4-methoxy-2-nitrophenyl)sulfamoyl]-3,5-dimethylphenoxy]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]-2,2-dimethyl-propionic acid Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)OCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)OCC(C)(C)C(=O)O

InChI

InChI=1S/C20H24N2O8S/c1-12-8-15(30-11-20(3,4)19(23)24)9-13(2)18(12)31(27,28)21-16-7-6-14(29-5)10-17(16)22(25)26/h6-10,21H,11H2,1-5H3,(H,23,24)