(3-cyano-7-ethoxy-7-ethyl-2-oxidanylidene-8H-chromen-4-yl)phosphonic acid

Systemtic Name: (3-cyano-7-ethoxy-7-ethyl-2-oxidanylidene-8H-chromen-4-yl)phosphonic acid Openeye Name: (3-cyano-7-ethoxy-7-ethyl-2-oxo-8H-chromen-4-yl)phosphonic acid CAS Name: (3-cyano-7-ethoxy-7-ethyl-2-oxo-8H-1-benzopyran-4-yl)phosphonic acid IUPAC Name: (3-cyano-7-ethoxy-7-ethyl-2-oxo-8H-chromen-4-yl)phosphonic acid Traditional Name: (3-cyano-7-ethoxy-7-ethyl-2-keto-8H-chromen-4-yl)phosphonic acid Formula: C14H16NO6P MolecularWeight: 325.253701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(C=C1)C(=C(C(=O)O2)C#N)P(=O)(O)O)OCC

Isomeric SMILES

CCC1(CC2=C(C=C1)C(=C(C(=O)O2)C#N)P(=O)(O)O)OCC

InChI

InChI=1S/C14H16NO6P/c1-3-14(20-4-2)6-5-9-11(7-14)21-13(16)10(8-15)12(9)22(17,18)19/h5-6H,3-4,7H2,1-2H3,(H2,17,18,19)