1-(benzotriazol-1-yl)-2-iodanyl-4-phenyl-butan-1-one

Systemtic Name: 1-(benzotriazol-1-yl)-2-iodanyl-4-phenyl-butan-1-one Openeye Name: 1-(benzotriazol-1-yl)-2-iodo-4-phenyl-butan-1-one CAS Name: 1-(1-benzotriazolyl)-2-iodo-4-phenyl-1-butanone IUPAC Name: 1-(benzotriazol-1-yl)-2-iodo-4-phenylbutan-1-one Traditional Name: 1-(benzotriazol-1-yl)-2-iodo-4-phenyl-butan-1-one Formula: C16H14IN3O MolecularWeight: 391.20633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)N2C3=CC=CC=C3N=N2)I

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)N2C3=CC=CC=C3N=N2)I

InChI

InChI=1S/C16H14IN3O/c17-13(11-10-12-6-2-1-3-7-12)16(21)20-15-9-5-4-8-14(15)18-19-20/h1-9,13H,10-11H2