[(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-yl] dihydrogen phosphate; sodium

Systemtic Name: [(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-yl] dihydrogen phosphate; sodium Openeye Name: [(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chroman-7-yl] dihydrogen phosphate; sodium CAS Name: [(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl] dihydrogen phosphate; sodium IUPAC Name: [(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl] dihydrogen phosphate; sodium Traditional Name: [(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-keto-chroman-7-yl] dihydrogen phosphate; sodium Formula: C16H15NaO9P MolecularWeight: 405.248431

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OP(=O)(O)O)O)O.[Na]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OP(=O)(O)O)O)O.[Na]

InChI

InChI=1S/C16H15O9P.Na/c1-23-13-3-2-8(4-10(13)17)14-7-12(19)16-11(18)5-9(6-15(16)24-14)25-26(20,21)22;/h2-6,14,17-18H,7H2,1H3,(H2,20,21,22);/t14-;/m0./s1