3,5-bis[(2,2-dimethyl-3-oxidanyl-propoxy)carbonyl]benzenesulfonic acid

Systemtic Name: 3,5-bis[(2,2-dimethyl-3-oxidanyl-propoxy)carbonyl]benzenesulfonic acid Openeye Name: 3,5-bis[(3-hydroxy-2,2-dimethyl-propoxy)carbonyl]benzenesulfonic acid CAS Name: 3,5-bis[(3-hydroxy-2,2-dimethylpropoxy)-oxomethyl]benzenesulfonic acid IUPAC Name: 3,5-bis[(3-hydroxy-2,2-dimethylpropoxy)carbonyl]benzenesulfonic acid Traditional Name: 3,5-bis[(3-hydroxy-2,2-dimethyl-propoxy)carbonyl]besylic acid Formula: C18H26O9S MolecularWeight: 418.45864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)CO

Isomeric SMILES

CC(C)(CO)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)CO

InChI

InChI=1S/C18H26O9S/c1-17(2,8-19)10-26-15(21)12-5-13(7-14(6-12)28(23,24)25)16(22)27-11-18(3,4)9-20/h5-7,19-20H,8-11H2,1-4H3,(H,23,24,25)