4-(4-methylpentan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(4-methylpentan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1,3-dimethylbutoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(1,3-dimethylbutoxy)-4-keto-3-sulfo-butyric acid Formula: C10H18O7S MolecularWeight: 282.31072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O7S/c1-6(2)4-7(3)17-10(13)8(5-9(11)12)18(14,15)16/h6-8H,4-5H2,1-3H3,(H,11,12)(H,14,15,16)