3-hexyl-4-iodanyl-5-phenyl-1,2-oxazole

Systemtic Name: 3-hexyl-4-iodanyl-5-phenyl-1,2-oxazole Openeye Name: 3-hexyl-4-iodo-5-phenyl-isoxazole CAS Name: 3-hexyl-4-iodo-5-phenylisoxazole IUPAC Name: 3-hexyl-4-iodo-5-phenyl-1,2-oxazole Traditional Name: 3-hexyl-4-iodo-5-phenyl-isoxazole Formula: C15H18INO MolecularWeight: 355.21399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NOC(=C1I)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NOC(=C1I)C2=CC=CC=C2

InChI

InChI=1S/C15H18INO/c1-2-3-4-8-11-13-14(16)15(18-17-13)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3