[3,5-dicyano-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenoxy]methylphosphonic acid

Systemtic Name: [3,5-dicyano-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenoxy]methylphosphonic acid Openeye Name: [3,5-dicyano-4-(4-hydroxy-3-isopropyl-phenoxy)phenoxy]methylphosphonic acid CAS Name: [3,5-dicyano-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methylphosphonic acid IUPAC Name: [3,5-dicyano-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]methylphosphonic acid Traditional Name: [3,5-dicyano-4-(4-hydroxy-3-isopropyl-phenoxy)phenoxy]methylphosphonic acid Formula: C18H17N2O6P MolecularWeight: 388.311141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C#N)OCP(=O)(O)O)C#N)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C#N)OCP(=O)(O)O)C#N)O

InChI

InChI=1S/C18H17N2O6P/c1-11(2)16-7-14(3-4-17(16)21)26-18-12(8-19)5-15(6-13(18)9-20)25-10-27(22,23)24/h3-7,11,21H,10H2,1-2H3,(H2,22,23,24)