(1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propan-1-ol

Systemtic Name: (1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propan-1-ol Openeye Name: (1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propan-1-ol CAS Name: (1R,3S)-1,3-bis(1-benzotriazolyl)-3-phenyl-1-propanol IUPAC Name: (1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenylpropan-1-ol Traditional Name: (1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propan-1-ol Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(N2C3=CC=CC=C3N=N2)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C[C@H](N2C3=CC=CC=C3N=N2)O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18N6O/c28-21(27-19-13-7-5-11-17(19)23-25-27)14-20(15-8-2-1-3-9-15)26-18-12-6-4-10-16(18)22-24-26/h1-13,20-21,28H,14H2/t20-,21+/m0/s1