5,8-dideuterio-6-methoxy-7-oxidanyl-3-(2,3,5,6-tetradeuterio-4-oxidanyl-phenyl)chromen-4-one

Systemtic Name: 5,8-dideuterio-6-methoxy-7-oxidanyl-3-(2,3,5,6-tetradeuterio-4-oxidanyl-phenyl)chromen-4-one Openeye Name: 5,8-dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxy-phenyl)chromen-4-one CAS Name: 5,8-dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)-1-benzopyran-4-one IUPAC Name: 5,8-dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one Traditional Name: 5,8-dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxy-phenyl)chromone Formula: C16H12O5 MolecularWeight: 290.300451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C2=COC3=C(C(=C(C(=C3C2=O)[2H])OC)O)[2H])[2H])[2H])O)[2H]

InChI

InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3/i2D,3D,4D,5D,6D,7D