2-[1,4,6-tris(benzotriazol-2-yl)hexan-3-yl]benzotriazole

Systemtic Name: 2-[1,4,6-tris(benzotriazol-2-yl)hexan-3-yl]benzotriazole Openeye Name: 2-[2,4-bis(benzotriazol-2-yl)-1-[2-(benzotriazol-2-yl)ethyl]butyl]benzotriazole CAS Name: 2-[1,4,6-tris(2-benzotriazolyl)hexan-3-yl]benzotriazole IUPAC Name: 2-[1,4,6-tris(benzotriazol-2-yl)hexan-3-yl]benzotriazole Traditional Name: 2-[2,4-bis(benzotriazol-2-yl)-1-[2-(benzotriazol-2-yl)ethyl]butyl]benzotriazole Formula: C30H26N12 MolecularWeight: 554.60784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)CCC(C(CCN3N=C4C=CC=CC4=N3)N5N=C6C=CC=CC6=N5)N7N=C8C=CC=CC8=N7

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)CCC(C(CCN3N=C4C=CC=CC4=N3)N5N=C6C=CC=CC6=N5)N7N=C8C=CC=CC8=N7

InChI

InChI=1S/C30H26N12/c1-2-10-22-21(9-1)31-39(32-22)19-17-29(41-35-25-13-5-6-14-26(25)36-41)30(42-37-27-15-7-8-16-28(27)38-42)18-20-40-33-23-11-3-4-12-24(23)34-40/h1-16,29-30H,17-20H2