2-[1-(carboxymethyl)-2-(phenylsulfonyloxy)cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-2-(phenylsulfonyloxy)cyclohexyl]ethanoic acid Openeye Name: 2-[2-(benzenesulfonyloxy)-1-(carboxymethyl)cyclohexyl]acetic acid CAS Name: 2-[2-(benzenesulfonyloxy)-1-(carboxymethyl)cyclohexyl]acetic acid IUPAC Name: 2-[2-(benzenesulfonyloxy)-1-(carboxymethyl)cyclohexyl]acetic acid Traditional Name: 2-[2-besyloxy-1-(carboxymethyl)cyclohexyl]acetic acid Formula: C16H20O7S MolecularWeight: 356.3908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OS(=O)(=O)C2=CC=CC=C2)(CC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(C(C1)OS(=O)(=O)C2=CC=CC=C2)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H20O7S/c17-14(18)10-16(11-15(19)20)9-5-4-8-13(16)23-24(21,22)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)