(3S)-1,6-bis(benzotriazol-1-yl)-3-methyl-hexane-1,6-dione

Systemtic Name: (3S)-1,6-bis(benzotriazol-1-yl)-3-methyl-hexane-1,6-dione Openeye Name: (3S)-1,6-bis(benzotriazol-1-yl)-3-methyl-hexane-1,6-dione CAS Name: (3S)-1,6-bis(1-benzotriazolyl)-3-methylhexane-1,6-dione IUPAC Name: (3S)-1,6-bis(benzotriazol-1-yl)-3-methylhexane-1,6-dione Traditional Name: (3S)-1,6-bis(benzotriazol-1-yl)-3-methyl-hexane-1,6-dione Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N1C2=CC=CC=C2N=N1)CC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](CCC(=O)N1C2=CC=CC=C2N=N1)CC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6O2/c1-13(12-19(27)25-17-9-5-3-7-15(17)21-23-25)10-11-18(26)24-16-8-4-2-6-14(16)20-22-24/h2-9,13H,10-12H2,1H3/t13-/m0/s1