4-(2-methylhexan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(2-methylhexan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(1,1-dimethylpentoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-(2-methylhexan-2-yloxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(2-methylhexan-2-yloxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-(1,1-dimethylpentoxy)-4-keto-3-sulfo-butyrate Formula: C11H19O7S- MolecularWeight: 295.32936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCC(C)(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C11H20O7S/c1-4-5-6-11(2,3)18-10(14)8(7-9(12)13)19(15,16)17/h8H,4-7H2,1-3H3,(H,12,13)(H,15,16,17)/p-1