[2,2-dimethyl-3,3-bis(oxidanyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-4H-chromen-6-yl] hydrogen carbonate

Systemtic Name: [2,2-dimethyl-3,3-bis(oxidanyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-4H-chromen-6-yl] hydrogen carbonate Openeye Name: [3,3-dihydroxy-2,2-dimethyl-4-(6-oxo-1-phenyl-pyridazin-3-yl)chroman-6-yl] hydrogen carbonate CAS Name: carbonic acid [3,3-dihydroxy-2,2-dimethyl-4-(6-oxo-1-phenyl-3-pyridazinyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [3,3-dihydroxy-2,2-dimethyl-4-(6-oxo-1-phenylpyridazin-3-yl)-4H-chromen-6-yl] hydrogen carbonate Traditional Name: carbonic acid [3,3-dihydroxy-4-(6-keto-1-phenyl-pyridazin-3-yl)-2,2-dimethyl-chroman-6-yl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OC(=O)O)C3=NN(C(=O)C=C3)C4=CC=CC=C4)(O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OC(=O)O)C3=NN(C(=O)C=C3)C4=CC=CC=C4)(O)O)C

InChI

InChI=1S/C22H20N2O7/c1-21(2)22(28,29)19(15-12-14(30-20(26)27)8-10-17(15)31-21)16-9-11-18(25)24(23-16)13-6-4-3-5-7-13/h3-12,19,28-29H,1-2H3,(H,26,27)