(3S)-3-[(E,4R,5S)-5-oxidanyl-4-phenylmethoxy-hex-2-enoyl]oxybutanoic acid

Systemtic Name: (3S)-3-[(E,4R,5S)-5-oxidanyl-4-phenylmethoxy-hex-2-enoyl]oxybutanoic acid Openeye Name: (3S)-3-[(E,4R,5S)-4-benzyloxy-5-hydroxy-hex-2-enoyl]oxybutanoic acid CAS Name: (3S)-3-[(E,4R,5S)-5-hydroxy-1-oxo-4-phenylmethoxyhex-2-enoxy]butanoic acid IUPAC Name: (3S)-3-[(E,4R,5S)-5-hydroxy-4-phenylmethoxyhex-2-enoyl]oxybutanoic acid Traditional Name: (3S)-3-[(E,4R,5S)-4-benzoxy-5-hydroxy-hex-2-enoyl]oxybutyric acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC(=O)C=CC(C(C)O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC(=O)O)OC(=O)/C=C/[C@H]([C@H](C)O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22O6/c1-12(10-16(19)20)23-17(21)9-8-15(13(2)18)22-11-14-6-4-3-5-7-14/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,19,20)/b9-8+/t12-,13-,15+/m0/s1