2-[(4S,5S)-5-(benzotriazol-2-yl)octan-4-yl]benzotriazole

Systemtic Name: 2-[(4S,5S)-5-(benzotriazol-2-yl)octan-4-yl]benzotriazole Openeye Name: 2-[(1S,2S)-2-(benzotriazol-2-yl)-1-propyl-pentyl]benzotriazole CAS Name: 2-[(4S,5S)-5-(2-benzotriazolyl)octan-4-yl]benzotriazole IUPAC Name: 2-[(4S,5S)-5-(benzotriazol-2-yl)octan-4-yl]benzotriazole Traditional Name: 2-[(1S,2S)-2-(benzotriazol-2-yl)-1-propyl-pentyl]benzotriazole Formula: C20H24N6 MolecularWeight: 348.44476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCC)N1N=C2C=CC=CC2=N1)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCC[C@@H]([C@H](CCC)N1N=C2C=CC=CC2=N1)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H24N6/c1-3-9-19(25-21-15-11-5-6-12-16(15)22-25)20(10-4-2)26-23-17-13-7-8-14-18(17)24-26/h5-8,11-14,19-20H,3-4,9-10H2,1-2H3/t19-,20-/m0/s1