butane; [(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]phosphonic acid

Systemtic Name: butane; [(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]phosphonic acid Openeye Name: butane; [(Z)-1-cyano-2-(3-phenoxyphenyl)vinyl]phosphonic acid CAS Name: butane; [(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]phosphonic acid IUPAC Name: butane; [(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]phosphonic acid Traditional Name: [(Z)-1-cyano-2-(3-phenoxyphenyl)vinyl]phosphonic acid; n-butane Formula: C19H22NO4P MolecularWeight: 359.356041

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C(C#N)P(=O)(O)O

Isomeric SMILES

CCCC.C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C(/C#N)\P(=O)(O)O

InChI

InChI=1S/C15H12NO4P.C4H10/c16-11-15(21(17,18)19)10-12-5-4-8-14(9-12)20-13-6-2-1-3-7-13;1-3-4-2/h1-10H,(H2,17,18,19);3-4H2,1-2H3/b15-10-;