3-[(4-phenylmethoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid

Systemtic Name: 3-[(4-phenylmethoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Openeye Name: 3-[(4-benzyloxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 3-[(4-phenylmethoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid IUPAC Name: 3-[(4-phenylmethoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Traditional Name: 3-[(4-benzoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Formula: C22H24O6S MolecularWeight: 416.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24O6S/c23-21(24)22(12-18-6-7-19(13-22)28-18)15-29(25,26)20-10-8-17(9-11-20)27-14-16-4-2-1-3-5-16/h1-5,8-11,18-19H,6-7,12-15H2,(H,23,24)