methyl (4E,6E)-2-[(E)-2-oxidanylidene-5-phenylmethoxy-pent-3-enyl]octa-4,6-dienoate

Systemtic Name: methyl (4E,6E)-2-[(E)-2-oxidanylidene-5-phenylmethoxy-pent-3-enyl]octa-4,6-dienoate Openeye Name: methyl (4E,6E)-2-[(E)-5-benzyloxy-2-oxo-pent-3-enyl]octa-4,6-dienoate CAS Name: (4E,6E)-2-[(E)-2-oxo-5-phenylmethoxypent-3-enyl]octa-4,6-dienoic acid methyl ester IUPAC Name: methyl (4E,6E)-2-[(E)-2-oxo-5-phenylmethoxypent-3-enyl]octa-4,6-dienoate Traditional Name: (4E,6E)-2-[(E)-5-benzoxy-2-keto-pent-3-enyl]octa-4,6-dienoic acid methyl ester Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCC(CC(=O)C=CCOCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

C/C=C/C=C/CC(CC(=O)/C=C/COCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H26O4/c1-3-4-5-9-13-19(21(23)24-2)16-20(22)14-10-15-25-17-18-11-7-6-8-12-18/h3-12,14,19H,13,15-17H2,1-2H3/b4-3+,9-5+,14-10+