sodium 3-methyl-3-oxidanyl-2H-thiophene-2-carboxylate

Systemtic Name: sodium 3-methyl-3-oxidanyl-2H-thiophene-2-carboxylate Openeye Name: sodium 3-hydroxy-3-methyl-2H-thiophene-2-carboxylate CAS Name: sodium 3-hydroxy-3-methyl-2H-thiophene-2-carboxylate IUPAC Name: sodium 3-hydroxy-3-methyl-2H-thiophene-2-carboxylate Traditional Name: sodium 3-hydroxy-3-methyl-2H-thiophene-2-carboxylate Formula: C6H7NaO3S MolecularWeight: 182.17275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CSC1C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1(C=CSC1C(=O)[O-])O.[Na+]

InChI

InChI=1S/C6H8O3S.Na/c1-6(9)2-3-10-4(6)5(7)8;/h2-4,9H,1H3,(H,7,8);/q;+1/p-1