2-phenoxycyclohexa-2,5-dien-1-one; 2-phenyl-1,2,4-triazine-3,5-dione; tungsten(2+)

Systemtic Name: 2-phenoxycyclohexa-2,5-dien-1-one; 2-phenyl-1,2,4-triazine-3,5-dione; tungsten(2+) Openeye Name: 2-phenoxycyclohexa-2,5-dien-1-one; 2-phenyl-1,2,4-triazine-3,5-dione; tungsten(2+) CAS Name: 2-phenoxy-1-cyclohexa-2,5-dienone; 2-phenyl-1,2,4-triazine-3,5-dione; tungsten(2+) IUPAC Name: 2-phenoxycyclohexa-2,5-dien-1-one; 2-phenyl-1,2,4-triazine-3,5-dione; tungsten(2+) Traditional Name: 2-phenoxycyclohexa-2,5-dien-1-one; 2-phenyl-1,2,4-triazine-3,5-quinone; tungsten(2+) Formula: C21H15N3O4W MolecularWeight: 557.2015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC(=O)C(=C1)OC2=CC=CC=C2.C1=CC(=CC=[C-]1)N2C(=O)NC(=O)C=N2.[W+2]

Isomeric SMILES

[CH-]1C=CC(=O)C(=C1)OC2=CC=CC=C2.C1=CC(=CC=[C-]1)N2C(=O)NC(=O)C=N2.[W+2]

InChI

InChI=1S/C12H9O2.C9H6N3O2.W/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;13-8-6-10-12(9(14)11-8)7-4-2-1-3-5-7;/h1-9H;2-6H,(H,11,13,14);/q2*-1;+2