(E,3S)-3-azaniumyl-6-phenyl-hex-5-enoate

Systemtic Name: (E,3S)-3-azaniumyl-6-phenyl-hex-5-enoate Openeye Name: (E,3S)-3-azaniumyl-6-phenyl-hex-5-enoate CAS Name: (E,3S)-3-ammonio-6-phenyl-5-hexenoate IUPAC Name: (E,3S)-3-azaniumyl-6-phenylhex-5-enoate Traditional Name: (E,3S)-3-ammonio-6-phenyl-hex-5-enoate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15NO2/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10/h1-7,11H,8-9,13H2,(H,14,15)/b7-4+/t11-/m0/s1