2-[3,5-bis(propan-2-yloxycarbonyl)phenoxy]benzenesulfonic acid

Systemtic Name: 2-[3,5-bis(propan-2-yloxycarbonyl)phenoxy]benzenesulfonic acid Openeye Name: 2-[3,5-bis(isopropoxycarbonyl)phenoxy]benzenesulfonic acid CAS Name: 2-[3,5-bis[oxo(propan-2-yloxy)methyl]phenoxy]benzenesulfonic acid IUPAC Name: 2-[3,5-bis(propan-2-yloxycarbonyl)phenoxy]benzenesulfonic acid Traditional Name: 2-[3,5-bis(isopropoxycarbonyl)phenoxy]besylic acid Formula: C20H22O8S MolecularWeight: 422.44888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)OC2=CC=CC=C2S(=O)(=O)O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)OC2=CC=CC=C2S(=O)(=O)O)C(=O)OC(C)C

InChI

InChI=1S/C20H22O8S/c1-12(2)26-19(21)14-9-15(20(22)27-13(3)4)11-16(10-14)28-17-7-5-6-8-18(17)29(23,24)25/h5-13H,1-4H3,(H,23,24,25)