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

Systemtic Name: 1-ethoxy-3-hexoxycarbonyl-1-oxidanylidene-pentane-3-sulfonic acid Openeye Name: 1-ethoxy-3-hexoxycarbonyl-1-oxo-pentane-3-sulfonic acid CAS Name: 1-ethoxy-3-[hexoxy(oxo)methyl]-1-oxo-3-pentanesulfonic acid IUPAC Name: 1-ethoxy-3-hexoxycarbonyl-1-oxopentane-3-sulfonic acid Traditional Name: 1-ethoxy-3-hexoxycarbonyl-1-keto-pentane-3-sulfonic acid Formula: C14H26O7S MolecularWeight: 338.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)(CC(=O)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CC)(CC(=O)OCC)S(=O)(=O)O

InChI

InChI=1S/C14H26O7S/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)