dimethyl 1,9-ditert-butyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylate

Systemtic Name: dimethyl 1,9-ditert-butyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylate Openeye Name: dimethyl 1,9-ditert-butyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylate CAS Name: 1,9-ditert-butyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,9-ditert-butyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylate Traditional Name: 1,9-ditert-butyl-11-keto-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium-3,7-dicarboxylic acid dimethyl ester Formula: C25H30O7P+ MolecularWeight: 473.475261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=C1O[P+](=O)OC3=C(C2)C=C(C=C3C(C)(C)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC2=C1O[P+](=O)OC3=C(C2)C=C(C=C3C(C)(C)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H30O7P/c1-24(2,3)18-12-16(22(26)29-7)10-14-9-15-11-17(23(27)30-8)13-19(25(4,5)6)21(15)32-33(28)31-20(14)18/h10-13H,9H2,1-8H3/q+1