butane; [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phosphonic acid

Systemtic Name: butane; [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phosphonic acid Openeye Name: butane; [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]vinyl]phosphonic acid CAS Name: butane; [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phosphonic acid IUPAC Name: butane; [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phosphonic acid Traditional Name: [(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]vinyl]phosphonic acid; n-butane Formula: C14H17F3NO3P MolecularWeight: 335.258651

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=CC=C1C=C(C#N)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

CCCC.C1=CC(=CC=C1/C=C(/C#N)\P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C10H7F3NO3P.C4H10/c11-10(12,13)8-3-1-7(2-4-8)5-9(6-14)18(15,16)17;1-3-4-2/h1-5H,(H2,15,16,17);3-4H2,1-2H3/b9-5-;