5-[2-cyclohexyl-3-(phenylsulfonyl)propoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-cyclohexyl-3-(phenylsulfonyl)propoxy]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(benzenesulfonyl)-2-cyclohexyl-propoxy]-2-hydroxy-benzoic acid CAS Name: 5-[3-(benzenesulfonyl)-2-cyclohexylpropoxy]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(benzenesulfonyl)-2-cyclohexylpropoxy]-2-hydroxybenzoic acid Traditional Name: 5-(3-besyl-2-cyclohexyl-propoxy)-2-hydroxy-benzoic acid Formula: C22H26O6S MolecularWeight: 418.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(COC2=CC(=C(C=C2)O)C(=O)O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(COC2=CC(=C(C=C2)O)C(=O)O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26O6S/c23-21-12-11-18(13-20(21)22(24)25)28-14-17(16-7-3-1-4-8-16)15-29(26,27)19-9-5-2-6-10-19/h2,5-6,9-13,16-17,23H,1,3-4,7-8,14-15H2,(H,24,25)