3-methyl-2-[2-(phenylsulfonyloxy)phenyl]butanoic acid

Systemtic Name: 3-methyl-2-[2-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 2-[2-(benzenesulfonyloxy)phenyl]-3-methyl-butanoic acid CAS Name: 2-[2-(benzenesulfonyloxy)phenyl]-3-methylbutanoic acid IUPAC Name: 2-[2-(benzenesulfonyloxy)phenyl]-3-methylbutanoic acid Traditional Name: 2-(2-besyloxyphenyl)-3-methyl-butyric acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18O5S/c1-12(2)16(17(18)19)14-10-6-7-11-15(14)22-23(20,21)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,18,19)