ditert-butyl 2-(1-oxidanyl-3-oxidanylidene-inden-2-yl)-3-pyridin-1-ium-1-yl-butanedioate

Systemtic Name: ditert-butyl 2-(1-oxidanyl-3-oxidanylidene-inden-2-yl)-3-pyridin-1-ium-1-yl-butanedioate Openeye Name: ditert-butyl 2-(1-hydroxy-3-oxo-inden-2-yl)-3-pyridin-1-ium-1-yl-butanedioate CAS Name: 2-(1-hydroxy-3-oxo-2-indenyl)-3-(1-pyridin-1-iumyl)butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(1-hydroxy-3-oxoinden-2-yl)-3-pyridin-1-ium-1-ylbutanedioate Traditional Name: 2-(1-hydroxy-3-keto-inden-2-yl)-3-pyridin-1-ium-1-yl-succinic acid ditert-butyl ester Formula: C26H30NO6+ MolecularWeight: 452.5195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C2=CC=CC=C2C1=O)O)C(C(=O)OC(C)(C)C)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C2=CC=CC=C2C1=O)O)C(C(=O)OC(C)(C)C)[N+]3=CC=CC=C3

InChI

InChI=1S/C26H29NO6/c1-25(2,3)32-23(30)18(19-21(28)16-12-8-9-13-17(16)22(19)29)20(24(31)33-26(4,5)6)27-14-10-7-11-15-27/h7-15,18,20H,1-6H3/p+1