2-[[4-(4-thiophen-2-ylphenoxy)phenyl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 2-[[4-(4-thiophen-2-ylphenoxy)phenyl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 2-[[4-[4-(2-thienyl)phenoxy]phenyl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-[[4-(4-thiophen-2-ylphenoxy)phenyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 2-[[4-(4-thiophen-2-ylphenoxy)phenyl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 2-[[4-[4-(2-thienyl)phenoxy]phenyl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C23H22O6S2 MolecularWeight: 458.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1COC(CC1C(=O)O)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C23H22O6S2/c24-23(25)17-11-12-28-20(14-17)15-31(26,27)21-9-7-19(8-10-21)29-18-5-3-16(4-6-18)22-2-1-13-30-22/h1-10,13,17,20H,11-12,14-15H2,(H,24,25)