3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpropanoic acid

Systemtic Name: 3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpropanoic acid Openeye Name: 3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpropanoic acid CAS Name: 3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpropionic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCC(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCC(=O)O)C)OC

InChI

InChI=1S/C12H16O5S/c1-8-7-11(9(2)6-10(8)17-3)18(15,16)5-4-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)