2,5-bis(benzotriazol-1-yl)-3,6-dimorpholin-4-yl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(benzotriazol-1-yl)-3,6-dimorpholin-4-yl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(benzotriazol-1-yl)-3,6-dimorpholino-1,4-benzoquinone CAS Name: 2,5-bis(1-benzotriazolyl)-3,6-bis(4-morpholinyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(benzotriazol-1-yl)-3,6-dimorpholin-4-ylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis(benzotriazol-1-yl)-3,6-dimorpholino-p-benzoquinone Formula: C26H24N8O4 MolecularWeight: 512.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)N5CCOCC5)N6C7=CC=CC=C7N=N6

Isomeric SMILES

C1COCCN1C2=C(C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)N5CCOCC5)N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C26H24N8O4/c35-25-22(32-11-15-38-16-12-32)24(34-20-8-4-2-6-18(20)28-30-34)26(36)21(31-9-13-37-14-10-31)23(25)33-19-7-3-1-5-17(19)27-29-33/h1-8H,9-16H2