2,6-bis(methoxycarbonyl)benzenesulfonic acid; ethane-1,2-diol

Systemtic Name: 2,6-bis(methoxycarbonyl)benzenesulfonic acid; ethane-1,2-diol Openeye Name: 2,6-bis(methoxycarbonyl)benzenesulfonic acid; ethylene glycol CAS Name: 2,6-bis(methoxycarbonyl)benzenesulfonic acid; ethane-1,2-diol IUPAC Name: 2,6-bis(methoxycarbonyl)benzenesulfonic acid; ethane-1,2-diol Traditional Name: 2,6-dicarbomethoxybesylic acid; ethylene glycol Formula: C12H16O9S MolecularWeight: 336.31504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)O.C(CO)O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)O.C(CO)O

InChI

InChI=1S/C10H10O7S.C2H6O2/c1-16-9(11)6-4-3-5-7(10(12)17-2)8(6)18(13,14)15;3-1-2-4/h3-5H,1-2H3,(H,13,14,15);3-4H,1-2H2