4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxo-2-sulfo-butanoic acid CAS Name: 4-(1,1-dideuterio-2-ethylhexoxy)-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-(1,1-dideuterio-2-ethylhexoxy)-4-oxo-2-sulfobutanoic acid Traditional Name: 4-(1,1-dideuterio-2-ethyl-hexoxy)-4-keto-2-sulfo-butyric acid Formula: C12H22O7S MolecularWeight: 312.376204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

[2H]C([2H])(C(CC)CCCC)OC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18)/i8D2