4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1,1-diethylhexoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(1,1-diethylhexoxy)-4-keto-3-sulfo-butyric acid Formula: C14H26O7S MolecularWeight: 338.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)(CC)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H26O7S/c1-4-7-8-9-14(5-2,6-3)21-13(17)11(10-12(15)16)22(18,19)20/h11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20)