(E)-3-cyano-2-oxidanyl-3-propan-2-ylsulfonyl-prop-2-enoic acid

Systemtic Name: (E)-3-cyano-2-oxidanyl-3-propan-2-ylsulfonyl-prop-2-enoic acid Openeye Name: (E)-3-cyano-2-hydroxy-3-isopropylsulfonyl-prop-2-enoic acid CAS Name: (E)-3-cyano-2-hydroxy-3-propan-2-ylsulfonyl-2-propenoic acid IUPAC Name: (E)-3-cyano-2-hydroxy-3-propan-2-ylsulfonylprop-2-enoic acid Traditional Name: (E)-3-cyano-2-hydroxy-3-isopropylsulfonyl-acrylic acid Formula: C7H9NO5S MolecularWeight: 219.21506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(=C(C(=O)O)O)C#N

Isomeric SMILES

CC(C)S(=O)(=O)/C(=C(\C(=O)O)/O)/C#N

InChI

InChI=1S/C7H9NO5S/c1-4(2)14(12,13)5(3-8)6(9)7(10)11/h4,9H,1-2H3,(H,10,11)/b6-5+