4-oxidanylidene-4-(1-oxidanylpropan-2-yloxy)-2-sulfo-butanoate; oxygen(2-)

Systemtic Name: 4-oxidanylidene-4-(1-oxidanylpropan-2-yloxy)-2-sulfo-butanoate; oxygen(2-) Openeye Name: 4-(2-hydroxy-1-methyl-ethoxy)-4-oxo-2-sulfo-butanoate; oxygen(2-) CAS Name: 4-(1-hydroxypropan-2-yloxy)-4-oxo-2-sulfobutanoate; oxygen(2-) IUPAC Name: 4-(1-hydroxypropan-2-yloxy)-4-oxo-2-sulfobutanoate; oxygen(2-) Traditional Name: 4-(2-hydroxy-1-methyl-ethoxy)-4-keto-2-sulfo-butyrate; oxygen(2-) Formula: C7H11O9S-3 MolecularWeight: 271.22184

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC(=O)CC(C(=O)[O-])S(=O)(=O)O.[O-2]

Isomeric SMILES

CC(CO)OC(=O)CC(C(=O)[O-])S(=O)(=O)O.[O-2]

InChI

InChI=1S/C7H12O8S.O/c1-4(3-8)15-6(9)2-5(7(10)11)16(12,13)14;/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13,14);/q;-2/p-1