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

Systemtic Name: (3S)-3-acetyloxy-4-oxidanyl-6-phenyl-hex-5-ynoic acid Openeye Name: (3S)-3-acetoxy-4-hydroxy-6-phenyl-hex-5-ynoic acid CAS Name: (3S)-3-acetyloxy-4-hydroxy-6-phenyl-5-hexynoic acid IUPAC Name: (3S)-3-acetyloxy-4-hydroxy-6-phenylhex-5-ynoic acid Traditional Name: (3S)-3-acetoxy-4-hydroxy-6-phenyl-hex-5-ynoic acid Formula: C14H14O5 MolecularWeight: 262.25796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O5/c1-10(15)19-13(9-14(17)18)12(16)8-7-11-5-3-2-4-6-11/h2-6,12-13,16H,9H2,1H3,(H,17,18)/t12?,13-/m0/s1