1-[oxidanyl-[2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]methylidene]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[oxidanyl-[2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]methylidene]piperidin-1-ium-4-carboxylate Openeye Name: 1-[hydroxy-[2-(3-hydroxy-6-oxo-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-4-carboxylate CAS Name: 1-[hydroxy-[2-(3-hydroxy-6-oxo-9-xanthenyl)phenyl]methylidene]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[hydroxy-[2-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]methylidene]piperidin-1-ium-4-carboxylate Traditional Name: 1-[hydroxy-[2-(3-hydroxy-6-keto-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-4-carboxylate Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(C2=CC=CC=C2C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)O)CCC1C(=O)[O-]

Isomeric SMILES

C1C[N+](=C(C2=CC=CC=C2C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)O)CCC1C(=O)[O-]

InChI

InChI=1S/C26H21NO6/c28-16-5-7-20-22(13-16)33-23-14-17(29)6-8-21(23)24(20)18-3-1-2-4-19(18)25(30)27-11-9-15(10-12-27)26(31)32/h1-8,13-15H,9-12H2,(H2,28,29,31,32)