sodium 1-ethoxy-3-hexoxycarbonyl-1-oxidanylidene-pentane-3-sulfonic acid

Systemtic Name: sodium 1-ethoxy-3-hexoxycarbonyl-1-oxidanylidene-pentane-3-sulfonic acid Openeye Name: sodium 1-ethoxy-3-hexoxycarbonyl-1-oxo-pentane-3-sulfonic acid CAS Name: sodium 1-ethoxy-3-[hexoxy(oxo)methyl]-1-oxo-3-pentanesulfonic acid IUPAC Name: sodium 1-ethoxy-3-hexoxycarbonyl-1-oxopentane-3-sulfonic acid Traditional Name: sodium 1-ethoxy-3-hexoxycarbonyl-1-keto-pentane-3-sulfonic acid Formula: C14H26NaO7S+ MolecularWeight: 361.40681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)(CC(=O)OCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCOC(=O)C(CC)(CC(=O)OCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H26O7S.Na/c1-4-7-8-9-10-21-13(16)14(5-2,22(17,18)19)11-12(15)20-6-3;/h4-11H2,1-3H3,(H,17,18,19);/q;+1