1,1-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid

Systemtic Name: 1,1-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid Openeye Name: 1,1-bis(2-tert-butoxy-2-oxo-ethyl)-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid CAS Name: 1,1-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid IUPAC Name: 1,1-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid Traditional Name: 1,1-bis(2-tert-butoxy-2-keto-ethyl)-10H-1,10-phenanthrolin-1-ium-2-carboxylic acid Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(C(=CC=C2C1=C3C(=CC=CN3)C=C2)C(=O)O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(C(=CC=C2C1=C3C(=CC=CN3)C=C2)C(=O)O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N2O6/c1-24(2,3)32-19(28)14-27(15-20(29)33-25(4,5)6)18(23(30)31)12-11-17-10-9-16-8-7-13-26-21(16)22(17)27/h7-13,26H,14-15H2,1-6H3/p+1