4-[[(E)-octadec-9-enyl]sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole

Systemtic Name: 4-[[(E)-octadec-9-enyl]sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole Openeye Name: 4-[[(E)-octadec-9-enyl]sulfanylmethyl]-2-phenyl-4,5-dihydrooxazole CAS Name: 4-[[[(E)-octadec-9-enyl]thio]methyl]-2-phenyl-4,5-dihydrooxazole IUPAC Name: 4-[[(E)-octadec-9-enyl]sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole Traditional Name: 4-[[[(E)-octadec-9-enyl]thio]methyl]-2-phenyl-2-oxazoline Formula: C28H45NOS MolecularWeight: 443.728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCSCC1COC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCSCC1COC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C28H45NOS/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/h9-10,17-19,21-22,27H,2-8,11-16,20,23-25H2,1H3/b10-9+