tris[9,10-bis(oxidanylidene)anthracen-1-yl]-(1,2,3-triazin-4-yl)azanium

Systemtic Name: tris[9,10-bis(oxidanylidene)anthracen-1-yl]-(1,2,3-triazin-4-yl)azanium Openeye Name: tris(9,10-dioxo-1-anthryl)-(triazin-4-yl)ammonium CAS Name: tris(9,10-dioxo-1-anthracenyl)-(4-triazinyl)ammonium IUPAC Name: tris(9,10-dioxoanthracen-1-yl)-(triazin-4-yl)azanium Traditional Name: tris(9,10-diketo-1-anthryl)-(triazin-4-yl)ammonium Formula: C45H23N4O6+ MolecularWeight: 715.68732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](C4=NN=NC=C4)(C5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](C4=NN=NC=C4)(C5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O

InChI

InChI=1S/C45H23N4O6/c50-40-24-10-1-4-13-27(24)43(53)37-30(40)16-7-19-33(37)49(36-22-23-46-48-47-36,34-20-8-17-31-38(34)44(54)28-14-5-2-11-25(28)41(31)51)35-21-9-18-32-39(35)45(55)29-15-6-3-12-26(29)42(32)52/h1-23H/q+1