(4E)-4-(dodecoxymethylidene)-3-phenyl-1,2-oxazol-5-one

Systemtic Name: (4E)-4-(dodecoxymethylidene)-3-phenyl-1,2-oxazol-5-one Openeye Name: (4E)-4-(dodecoxymethylene)-3-phenyl-isoxazol-5-one CAS Name: (4E)-4-(dodecoxymethylidene)-3-phenyl-5-isoxazolone IUPAC Name: (4E)-4-(dodecoxymethylidene)-3-phenyl-1,2-oxazol-5-one Traditional Name: (4E)-4-(lauryloxymethylene)-3-phenyl-2-isoxazolin-5-one Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC=C1C(=NOC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCO/C=C/1\C(=NOC1=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-10-14-17-25-18-20-21(23-26-22(20)24)19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3/b20-18+