sodium 1,4-bis(2-hydroxyethyloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(2-hydroxyethyloxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(2-hydroxyethoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-hydroxyethoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-hydroxyethoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(2-hydroxyethoxy)-1,4-diketo-butane-2-sulfonate Formula: C8H13NaO9S MolecularWeight: 308.23819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(COC(=O)CC(C(=O)OCCO)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C(COC(=O)CC(C(=O)OCCO)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C8H14O9S.Na/c9-1-3-16-7(11)5-6(18(13,14)15)8(12)17-4-2-10;/h6,9-10H,1-5H2,(H,13,14,15);/q;+1/p-1