ethyl (2E)-3-methyl-3-oxidanyl-2-(phenylmethylidene)hex-5-enoate

Systemtic Name: ethyl (2E)-3-methyl-3-oxidanyl-2-(phenylmethylidene)hex-5-enoate Openeye Name: ethyl (2E)-2-benzylidene-3-hydroxy-3-methyl-hex-5-enoate CAS Name: (2E)-3-hydroxy-3-methyl-2-(phenylmethylene)-5-hexenoic acid ethyl ester IUPAC Name: ethyl (2E)-2-benzylidene-3-hydroxy-3-methylhex-5-enoate Traditional Name: (2E)-2-benzal-3-hydroxy-3-methyl-hex-5-enoic acid ethyl ester Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1)C(C)(CC=C)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CC=C1)/C(C)(CC=C)O

InChI

InChI=1S/C16H20O3/c1-4-11-16(3,18)14(15(17)19-5-2)12-13-9-7-6-8-10-13/h4,6-10,12,18H,1,5,11H2,2-3H3/b14-12-