(E,2R)-2-methyl-2-[(1R)-1-oxidanylethyl]-4-(phenylsulfonyl)but-3-enoic acid

Systemtic Name: (E,2R)-2-methyl-2-[(1R)-1-oxidanylethyl]-4-(phenylsulfonyl)but-3-enoic acid Openeye Name: (E,2R)-4-(benzenesulfonyl)-2-[(1R)-1-hydroxyethyl]-2-methyl-but-3-enoic acid CAS Name: (E,2R)-4-(benzenesulfonyl)-2-[(1R)-1-hydroxyethyl]-2-methyl-3-butenoic acid IUPAC Name: (E,2R)-4-(benzenesulfonyl)-2-[(1R)-1-hydroxyethyl]-2-methylbut-3-enoic acid Traditional Name: (E,2R)-4-besyl-2-[(1R)-1-hydroxyethyl]-2-methyl-but-3-enoic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C=CS(=O)(=O)C1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

C[C@H]([C@@](C)(/C=C/S(=O)(=O)C1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C13H16O5S/c1-10(14)13(2,12(15)16)8-9-19(17,18)11-6-4-3-5-7-11/h3-10,14H,1-2H3,(H,15,16)/b9-8+/t10-,13-/m1/s1