2-(phenylsulfonylmethyl)-4-(4-thiophen-3-ylphenoxy)oxane-4-carboxylic acid

Systemtic Name: 2-(phenylsulfonylmethyl)-4-(4-thiophen-3-ylphenoxy)oxane-4-carboxylic acid Openeye Name: 2-(benzenesulfonylmethyl)-4-[4-(3-thienyl)phenoxy]tetrahydropyran-4-carboxylic acid CAS Name: 2-(benzenesulfonylmethyl)-4-[4-(3-thiophenyl)phenoxy]-4-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonylmethyl)-4-(4-thiophen-3-ylphenoxy)oxane-4-carboxylic acid Traditional Name: 2-(besylmethyl)-4-[4-(3-thienyl)phenoxy]tetrahydropyran-4-carboxylic acid Formula: C23H22O6S2 MolecularWeight: 458.54718

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1(C(=O)O)OC2=CC=C(C=C2)C3=CSC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(CC1(C(=O)O)OC2=CC=C(C=C2)C3=CSC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

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