[2-(3-cyano-5-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-3-yl] dihydrogen phosphate

Systemtic Name: [2-(3-cyano-5-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-3-yl] dihydrogen phosphate Openeye Name: [2-(3-cyano-4-hydroxy-5-methoxy-phenyl)-4-oxo-chromen-3-yl] dihydrogen phosphate CAS Name: [2-(3-cyano-4-hydroxy-5-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] dihydrogen phosphate IUPAC Name: [2-(3-cyano-4-hydroxy-5-methoxyphenyl)-4-oxochromen-3-yl] dihydrogen phosphate Traditional Name: [2-(3-cyano-4-hydroxy-5-methoxy-phenyl)-4-keto-chromen-3-yl] dihydrogen phosphate Formula: C17H12NO8P MolecularWeight: 389.252841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OP(=O)(O)O)C#N)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OP(=O)(O)O)C#N)O

InChI

InChI=1S/C17H12NO8P/c1-24-13-7-9(6-10(8-18)14(13)19)16-17(26-27(21,22)23)15(20)11-4-2-3-5-12(11)25-16/h2-7,19H,1H3,(H2,21,22,23)