4-hexoxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-hexoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-hexoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-hexoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-hexoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-hexoxy-4-keto-3-sulfo-butyric acid Formula: C10H18O7S MolecularWeight: 282.31072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O7S/c1-2-3-4-5-6-17-10(13)8(7-9(11)12)18(14,15)16/h8H,2-7H2,1H3,(H,11,12)(H,14,15,16)