2,2-dimethyl-3-[4-(2-phenylbutanoyloxy)phenyl]sulfonyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-(2-phenylbutanoyloxy)phenyl]sulfonyl-propanoic acid Openeye Name: 2,2-dimethyl-3-[4-(2-phenylbutanoyloxy)phenyl]sulfonyl-propanoic acid CAS Name: 2,2-dimethyl-3-[4-(1-oxo-2-phenylbutoxy)phenyl]sulfonylpropanoic acid IUPAC Name: 2,2-dimethyl-3-[4-(2-phenylbutanoyloxy)phenyl]sulfonylpropanoic acid Traditional Name: 2,2-dimethyl-3-[4-(2-phenylbutanoyloxy)phenyl]sulfonyl-propionic acid Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C21H24O6S/c1-4-18(15-8-6-5-7-9-15)19(22)27-16-10-12-17(13-11-16)28(25,26)14-21(2,3)20(23)24/h5-13,18H,4,14H2,1-3H3,(H,23,24)