1-(3-phenylmethoxy-1,2,3-triazol-4-yl)dodecan-1-one

Systemtic Name: 1-(3-phenylmethoxy-1,2,3-triazol-4-yl)dodecan-1-one Openeye Name: 1-(3-benzyloxytriazol-4-yl)dodecan-1-one CAS Name: 1-(3-phenylmethoxy-4-triazolyl)-1-dodecanone IUPAC Name: 1-(3-phenylmethoxytriazol-4-yl)dodecan-1-one Traditional Name: 1-(3-benzoxytriazol-4-yl)dodecan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN=NN1OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN=NN1OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O2/c1-2-3-4-5-6-7-8-9-13-16-21(25)20-17-22-23-24(20)26-18-19-14-11-10-12-15-19/h10-12,14-15,17H,2-9,13,16,18H2,1H3