sodium [2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl] hydrogen phosphate

Systemtic Name: sodium [2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl] hydrogen phosphate Openeye Name: sodium [2-(3,4-dihydroxy-5-methoxy-phenyl)-4-oxo-chromen-3-yl] hydrogen phosphate CAS Name: sodium [2-(3,4-dihydroxy-5-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] hydrogen phosphate IUPAC Name: sodium [2-(3,4-dihydroxy-5-methoxyphenyl)-4-oxochromen-3-yl] hydrogen phosphate Traditional Name: sodium [2-(3,4-dihydroxy-5-methoxy-phenyl)-4-keto-chromen-3-yl] hydrogen phosphate Formula: C16H12NaO9P MolecularWeight: 402.224611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=CC=CC=C3O2)OP(=O)(O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=CC=CC=C3O2)OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C16H13O9P.Na/c1-23-12-7-8(6-10(17)14(12)19)15-16(25-26(20,21)22)13(18)9-4-2-3-5-11(9)24-15;/h2-7,17,19H,1H3,(H2,20,21,22);/q;+1/p-1