(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-mesyl-acrylonitrile Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C)Cl)O

InChI

InChI=1S/C12H12ClNO4S/c1-3-18-11-6-8(5-10(13)12(11)15)4-9(7-14)19(2,16)17/h4-6,15H,3H2,1-2H3/b9-4+