methyl (E,3S)-3-phenacylhex-4-enoate

Systemtic Name: methyl (E,3S)-3-phenacylhex-4-enoate Openeye Name: methyl (E,3S)-3-phenacylhex-4-enoate CAS Name: (E,3S)-3-phenacyl-4-hexenoic acid methyl ester IUPAC Name: methyl (E,3S)-3-phenacylhex-4-enoate Traditional Name: (E,3S)-3-phenacylhex-4-enoic acid methyl ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CC(=O)C1=CC=CC=C1)CC(=O)OC

Isomeric SMILES

C/C=C/[C@@H](CC(=O)C1=CC=CC=C1)CC(=O)OC

InChI

InChI=1S/C15H18O3/c1-3-7-12(11-15(17)18-2)10-14(16)13-8-5-4-6-9-13/h3-9,12H,10-11H2,1-2H3/b7-3+/t12-/m0/s1