calcium [3-cyano-1,4-bis(oxidanidyl)quinoxalin-4-ium-2-ylidene]oxidanium hydroxide

Systemtic Name: calcium [3-cyano-1,4-bis(oxidanidyl)quinoxalin-4-ium-2-ylidene]oxidanium hydroxide Openeye Name: calcium (3-cyano-1,4-dioxido-quinoxalin-4-ium-2-ylidene)oxonium hydroxide CAS Name: calcium (3-cyano-1,4-dioxido-2-quinoxalin-4-iumylidene)oxonium hydroxide IUPAC Name: calcium (3-cyano-1,4-dioxidoquinoxalin-4-ium-2-ylidene)oxidanium hydroxide Traditional Name: calcium (3-cyano-1,4-dioxido-quinoxalin-4-ium-2-ylidene)oxonium hydroxide Formula: C9H6CaN3O4+ MolecularWeight: 260.23964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[OH+])C(=[N+]2[O-])C#N)[O-].[OH-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[OH+])C(=[N+]2[O-])C#N)[O-].[OH-].[Ca+2]

InChI

InChI=1S/C9H4N3O3.Ca.H2O/c10-5-8-9(13)12(15)7-4-2-1-3-6(7)11(8)14;;/h1-4H;;1H2/q-1;+2;