[6,8-dideuterio-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfooxy-phenyl)chromen-7-yl] hydrogen sulfate

Systemtic Name: [6,8-dideuterio-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfooxy-phenyl)chromen-7-yl] hydrogen sulfate Openeye Name: [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfooxy-phenyl)chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfooxyphenyl)-1-benzopyran-7-yl] ester IUPAC Name: [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfooxyphenyl)chromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [6,8-dideuterio-4-keto-3-(2,3,5,6-tetradeuterio-4-sulfoxy-phenyl)chromen-7-yl] ester Formula: C15H10O10S2 MolecularWeight: 420.400871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

[2H]C1=CC2=C(C(=C1OS(=O)(=O)O)[2H])OC=C(C2=O)C3=C(C(=C(C(=C3[2H])[2H])OS(=O)(=O)O)[2H])[2H]

InChI

InChI=1S/C15H10O10S2/c16-15-12-6-5-11(25-27(20,21)22)7-14(12)23-8-13(15)9-1-3-10(4-2-9)24-26(17,18)19/h1-8H,(H,17,18,19)(H,20,21,22)/i1D,2D,3D,4D,5D,7D