[3-cyano-4-(furan-2-yl)hexan-3-yl]phosphonic acid

Systemtic Name: [3-cyano-4-(furan-2-yl)hexan-3-yl]phosphonic acid Openeye Name: [1-cyano-1-ethyl-2-(2-furyl)butyl]phosphonic acid CAS Name: [3-cyano-4-(2-furanyl)hexan-3-yl]phosphonic acid IUPAC Name: [3-cyano-4-(furan-2-yl)hexan-3-yl]phosphonic acid Traditional Name: [1-cyano-1-ethyl-2-(2-furyl)butyl]phosphonic acid Formula: C11H16NO4P MolecularWeight: 257.222801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CO1)C(CC)(C#N)P(=O)(O)O

Isomeric SMILES

CCC(C1=CC=CO1)C(CC)(C#N)P(=O)(O)O

InChI

InChI=1S/C11H16NO4P/c1-3-9(10-6-5-7-16-10)11(4-2,8-12)17(13,14)15/h5-7,9H,3-4H2,1-2H3,(H2,13,14,15)