(3S)-3-acetyloxy-4-oxidanylidene-6-phenyl-hex-5-ynoic acid

Systemtic Name: (3S)-3-acetyloxy-4-oxidanylidene-6-phenyl-hex-5-ynoic acid Openeye Name: (3S)-3-acetoxy-4-oxo-6-phenyl-hex-5-ynoic acid CAS Name: (3S)-3-acetyloxy-4-oxo-6-phenyl-5-hexynoic acid IUPAC Name: (3S)-3-acetyloxy-4-oxo-6-phenylhex-5-ynoic acid Traditional Name: (3S)-3-acetoxy-4-keto-6-phenyl-hex-5-ynoic acid Formula: C14H12O5 MolecularWeight: 260.24208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@@H](CC(=O)O)C(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C14H12O5/c1-10(15)19-13(9-14(17)18)12(16)8-7-11-5-3-2-4-6-11/h2-6,13H,9H2,1H3,(H,17,18)/t13-/m0/s1