(E)-3-(4-butoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-butoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(4-butoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-butoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-butoxyphenyl)-2-mesyl-acrylonitrile Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C14H17NO3S/c1-3-4-9-18-13-7-5-12(6-8-13)10-14(11-15)19(2,16)17/h5-8,10H,3-4,9H2,1-2H3/b14-10+