2-methyl-2-(3-phenylpropylsulfonyloxy)propanoic acid

Systemtic Name: 2-methyl-2-(3-phenylpropylsulfonyloxy)propanoic acid Openeye Name: 2-methyl-2-(3-phenylpropylsulfonyloxy)propanoic acid CAS Name: 2-methyl-2-(3-phenylpropylsulfonyloxy)propanoic acid IUPAC Name: 2-methyl-2-(3-phenylpropylsulfonyloxy)propanoic acid Traditional Name: 2-methyl-2-(3-phenylpropylsulfonyloxy)propionic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OS(=O)(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)O)OS(=O)(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C13H18O5S/c1-13(2,12(14)15)18-19(16,17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15)