sodium (Z)-2-methyl-5-sulfooxy-pent-2-enoate

Systemtic Name: sodium (Z)-2-methyl-5-sulfooxy-pent-2-enoate Openeye Name: sodium (Z)-2-methyl-5-sulfooxy-pent-2-enoate CAS Name: sodium (Z)-2-methyl-5-sulfooxy-2-pentenoate IUPAC Name: sodium (Z)-2-methyl-5-sulfooxypent-2-enoate Traditional Name: sodium (Z)-2-methyl-5-sulfoxy-pent-2-enoate Formula: C6H9NaO6S MolecularWeight: 232.18683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCOS(=O)(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C6H10O6S.Na/c1-5(6(7)8)3-2-4-12-13(9,10)11;/h3H,2,4H2,1H3,(H,7,8)(H,9,10,11);/q;+1/p-1/b5-3-;