1-[[2-(4,5-dinitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]-oxidanyl-methylidene]piperidin-1-ium-2-carboxylate

Systemtic Name: 1-[[2-(4,5-dinitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]-oxidanyl-methylidene]piperidin-1-ium-2-carboxylate Openeye Name: 1-[hydroxy-[2-(3-hydroxy-4,5-dinitro-6-oxo-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-2-carboxylate CAS Name: 1-[hydroxy-[2-(3-hydroxy-4,5-dinitro-6-oxo-9-xanthenyl)phenyl]methylidene]-2-piperidin-1-iumcarboxylate IUPAC Name: 1-[hydroxy-[2-(3-hydroxy-4,5-dinitro-6-oxoxanthen-9-yl)phenyl]methylidene]piperidin-1-ium-2-carboxylate Traditional Name: 1-[hydroxy-[2-(3-hydroxy-6-keto-4,5-dinitro-xanthen-9-yl)phenyl]methylene]piperidin-1-ium-2-carboxylate Formula: C26H19N3O10 MolecularWeight: 533.44316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=CC=C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5[N+](=O)[O-])O)[N+](=O)[O-])O)C(C1)C(=O)[O-]

Isomeric SMILES

C1CC[N+](=C(C2=CC=CC=C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5[N+](=O)[O-])O)[N+](=O)[O-])O)C(C1)C(=O)[O-]

InChI

InChI=1S/C26H19N3O10/c30-18-10-8-15-20(13-5-1-2-6-14(13)25(32)27-12-4-3-7-17(27)26(33)34)16-9-11-19(31)22(29(37)38)24(16)39-23(15)21(18)28(35)36/h1-2,5-6,8-11,17H,3-4,7,12H2,(H2,30,31,33,34)