1-[(4S)-4-phenoxy-1-phenyl-nonan-4-yl]benzotriazole

Systemtic Name: 1-[(4S)-4-phenoxy-1-phenyl-nonan-4-yl]benzotriazole Openeye Name: 1-[(1S)-1-phenoxy-1-(3-phenylpropyl)hexyl]benzotriazole CAS Name: 1-[(4S)-4-phenoxy-1-phenylnonan-4-yl]benzotriazole IUPAC Name: 1-[(4S)-4-phenoxy-1-phenylnonan-4-yl]benzotriazole Traditional Name: 1-[(1S)-1-phenoxy-1-(3-phenylpropyl)hexyl]benzotriazole Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4

Isomeric SMILES

CCCCC[C@](CCCC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-2-3-12-21-27(31-24-17-8-5-9-18-24,22-13-16-23-14-6-4-7-15-23)30-26-20-11-10-19-25(26)28-29-30/h4-11,14-15,17-20H,2-3,12-13,16,21-22H2,1H3/t27-/m0/s1