4-[(2R)-2-ethylhex-5-enoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[(2R)-2-ethylhex-5-enoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[(2R)-2-ethylhex-5-enoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[(2R)-2-ethylhex-5-enoxy]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[(2R)-2-ethylhex-5-enoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[(2R)-2-ethylhex-5-enoxy]-4-keto-2-sulfo-butyric acid Formula: C12H20O7S MolecularWeight: 308.348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CCC=C)COC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H20O7S/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18/h3,9-10H,1,4-8H2,2H3,(H,14,15)(H,16,17,18)/t9-,10?/m1/s1