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

Systemtic Name: (E)-2-chloranyl-3-cyano-3-propan-2-ylsulfonyl-prop-2-enoic acid Openeye Name: (E)-2-chloro-3-cyano-3-isopropylsulfonyl-prop-2-enoic acid CAS Name: (E)-2-chloro-3-cyano-3-propan-2-ylsulfonyl-2-propenoic acid IUPAC Name: (E)-2-chloro-3-cyano-3-propan-2-ylsulfonylprop-2-enoic acid Traditional Name: (E)-2-chloro-3-cyano-3-isopropylsulfonyl-acrylic acid Formula: C7H8ClNO4S MolecularWeight: 237.66072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8ClNO4S/c1-4(2)14(12,13)5(3-9)6(8)7(10)11/h4H,1-2H3,(H,10,11)/b6-5+