1-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(1-benzotriazolyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=N2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](CN2C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C17H17N3O3/c1-12(21)13-6-8-15(9-7-13)23-11-14(22)10-20-17-5-3-2-4-16(17)18-19-20/h2-9,14,22H,10-11H2,1H3/t14-/m0/s1