2-(3-hexyl-2-methylsulfanyl-phenyl)-4,4-dimethyl-5H-1,3-oxazole; iodanylmethane

Systemtic Name: 2-(3-hexyl-2-methylsulfanyl-phenyl)-4,4-dimethyl-5H-1,3-oxazole; iodanylmethane Openeye Name: 2-(3-hexyl-2-methylsulfanyl-phenyl)-4,4-dimethyl-5H-oxazole; iodomethane CAS Name: 2-[3-hexyl-2-(methylthio)phenyl]-4,4-dimethyl-5H-oxazole; iodomethane IUPAC Name: 2-(3-hexyl-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole; iodomethane Traditional Name: 2-[3-hexyl-2-(methylthio)phenyl]-4,4-dimethyl-2-oxazoline; iodomethane Formula: C19H30INOS MolecularWeight: 447.41707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1SC)C2=NC(CO2)(C)C.CI

Isomeric SMILES

CCCCCCC1=CC=CC(=C1SC)C2=NC(CO2)(C)C.CI

InChI

InChI=1S/C18H27NOS.CH3I/c1-5-6-7-8-10-14-11-9-12-15(16(14)21-4)17-19-18(2,3)13-20-17;1-2/h9,11-12H,5-8,10,13H2,1-4H3;1H3