4-(octadecylsulfanylmethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

Systemtic Name: 4-(octadecylsulfanylmethyl)-2-phenyl-4,5-dihydro-1,3-oxazole Openeye Name: 4-(octadecylsulfanylmethyl)-2-phenyl-4,5-dihydrooxazole CAS Name: 4-[(octadecylthio)methyl]-2-phenyl-4,5-dihydrooxazole IUPAC Name: 4-(octadecylsulfanylmethyl)-2-phenyl-4,5-dihydro-1,3-oxazole Traditional Name: 2-phenyl-4-[(stearylthio)methyl]-2-oxazoline Formula: C28H47NOS MolecularWeight: 445.74388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC1COC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC1COC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C28H47NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-25-27-24-30-28(29-27)26-21-18-17-19-22-26/h17-19,21-22,27H,2-16,20,23-25H2,1H3