phenethyl (E)-4-methanoyl-3-(2-oxidanylideneethyl)hex-4-enoate

Systemtic Name: phenethyl (E)-4-methanoyl-3-(2-oxidanylideneethyl)hex-4-enoate Openeye Name: phenethyl (E)-4-formyl-3-(2-oxoethyl)hex-4-enoate CAS Name: (E)-4-formyl-3-(2-oxoethyl)-4-hexenoic acid phenethyl ester IUPAC Name: phenethyl (E)-4-formyl-3-(2-oxoethyl)hex-4-enoate Traditional Name: (E)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid phenethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

C/C=C(/C=O)\C(CC=O)CC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C17H20O4/c1-2-15(13-19)16(8-10-18)12-17(20)21-11-9-14-6-4-3-5-7-14/h2-7,10,13,16H,8-9,11-12H2,1H3/b15-2-