1-[(4S)-4-phenoxynon-1-en-4-yl]benzotriazole

Systemtic Name: 1-[(4S)-4-phenoxynon-1-en-4-yl]benzotriazole Openeye Name: 1-[(1S)-1-allyl-1-phenoxy-hexyl]benzotriazole CAS Name: 1-[(4S)-4-phenoxynon-1-en-4-yl]benzotriazole IUPAC Name: 1-[(4S)-4-phenoxynon-1-en-4-yl]benzotriazole Traditional Name: 1-[(1S)-1-amyl-1-phenoxy-but-3-enyl]benzotriazole Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3

Isomeric SMILES

CCCCC[C@](CC=C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-3-5-11-17-21(16-4-2,25-18-12-7-6-8-13-18)24-20-15-10-9-14-19(20)22-23-24/h4,6-10,12-15H,2-3,5,11,16-17H2,1H3/t21-/m1/s1