sodium ethyl (E)-2-methyl-3-oxidanyl-prop-2-enoate sulfate

Systemtic Name: sodium ethyl (E)-2-methyl-3-oxidanyl-prop-2-enoate sulfate Openeye Name: sodium ethyl (E)-3-hydroxy-2-methyl-prop-2-enoate sulfate CAS Name: sodium (E)-3-hydroxy-2-methyl-2-propenoic acid ethyl ester sulfate IUPAC Name: sodium ethyl (E)-3-hydroxy-2-methylprop-2-enoate sulfate Traditional Name: sodium (E)-3-hydroxy-2-methyl-acrylic acid ethyl ester sulfate Formula: C6H10NaO7S- MolecularWeight: 249.19417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CO)C.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)/C(=C/O)/C.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H10O3.Na.H2O4S/c1-3-9-6(8)5(2)4-7;;1-5(2,3)4/h4,7H,3H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2/b5-4+;;