5,6,6-tris(bromanyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hex-5-en-3-ol

Systemtic Name: 5,6,6-tris(bromanyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hex-5-en-3-ol Openeye Name: 5,6,6-tribromo-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hex-5-en-3-ol CAS Name: 5,6,6-tribromo-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-5-hexen-3-ol IUPAC Name: 5,6,6-tribromo-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hex-5-en-3-ol Traditional Name: 5,6,6-tribromo-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hex-5-en-3-ol Formula: C11H16Br3N3O MolecularWeight: 445.97624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=C(Br)Br)Br)(CN1C=NC=N1)O

Isomeric SMILES

CC(C)(C)C(CC(=C(Br)Br)Br)(CN1C=NC=N1)O

InChI

InChI=1S/C11H16Br3N3O/c1-10(2,3)11(18,4-8(12)9(13)14)5-17-7-15-6-16-17/h6-7,18H,4-5H2,1-3H3