2-methyl-2-[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonyl-propanoic acid

Systemtic Name: 2-methyl-2-[3-oxidanylidene-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonyl-propanoic acid Openeye Name: 2-(2-benzyl-3-benzyloxy-3-oxo-propyl)sulfonyl-2-methyl-propanoic acid CAS Name: 2-methyl-2-[3-oxo-3-phenylmethoxy-2-(phenylmethyl)propyl]sulfonylpropanoic acid IUPAC Name: 2-(2-benzyl-3-oxo-3-phenylmethoxypropyl)sulfonyl-2-methylpropanoic acid Traditional Name: 2-(3-benzoxy-2-benzyl-3-keto-propyl)sulfonyl-2-methyl-propionic acid Formula: C21H24O6S MolecularWeight: 404.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)O)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24O6S/c1-21(2,20(23)24)28(25,26)15-18(13-16-9-5-3-6-10-16)19(22)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,23,24)