7-oxidanylidenephenoxazine-3-carboxylate; phosphoric acid; pyridin-1-ium

Systemtic Name: 7-oxidanylidenephenoxazine-3-carboxylate; phosphoric acid; pyridin-1-ium Openeye Name: 7-oxophenoxazine-3-carboxylate; phosphoric acid; pyridin-1-ium CAS Name: 7-oxo-3-phenoxazinecarboxylate; phosphoric acid; pyridin-1-ium IUPAC Name: 7-oxophenoxazine-3-carboxylate; phosphoric acid; pyridin-1-ium Traditional Name: 7-ketophenoxazine-3-carboxylate; phosphoric acid; pyridin-1-ium Formula: C18H15N2O8P MolecularWeight: 418.294061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC2=C(C=C1C(=O)[O-])OC3=CC(=O)C=CC3=N2.OP(=O)(O)O

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC2=C(C=C1C(=O)[O-])OC3=CC(=O)C=CC3=N2.OP(=O)(O)O

InChI

InChI=1S/C13H7NO4.C5H5N.H3O4P/c15-8-2-4-10-12(6-8)18-11-5-7(13(16)17)1-3-9(11)14-10;1-2-4-6-5-3-1;1-5(2,3)4/h1-6H,(H,16,17);1-5H;(H3,1,2,3,4)