dimethyl 4-methyl-5-[1,2,3,4-tetrakis(oxidanyl)-6-phenyl-hex-5-enyl]pyridazine-3,6-dicarboxylate

Systemtic Name: dimethyl 4-methyl-5-[1,2,3,4-tetrakis(oxidanyl)-6-phenyl-hex-5-enyl]pyridazine-3,6-dicarboxylate Openeye Name: dimethyl 4-methyl-5-(1,2,3,4-tetrahydroxy-6-phenyl-hex-5-enyl)pyridazine-3,6-dicarboxylate CAS Name: 4-methyl-5-(1,2,3,4-tetrahydroxy-6-phenylhex-5-enyl)pyridazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-methyl-5-(1,2,3,4-tetrahydroxy-6-phenylhex-5-enyl)pyridazine-3,6-dicarboxylate Traditional Name: 4-methyl-5-(1,2,3,4-tetrahydroxy-6-phenyl-hex-5-enyl)pyridazine-3,6-dicarboxylic acid dimethyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C(=O)OC)C(=O)OC)C(C(C(C(C=CC2=CC=CC=C2)O)O)O)O

Isomeric SMILES

CC1=C(C(=NN=C1C(=O)OC)C(=O)OC)C(C(C(C(C=CC2=CC=CC=C2)O)O)O)O

InChI

InChI=1S/C21H24N2O8/c1-11-14(16(21(29)31-3)23-22-15(11)20(28)30-2)18(26)19(27)17(25)13(24)10-9-12-7-5-4-6-8-12/h4-10,13,17-19,24-27H,1-3H3