(E,4R,5S)-5-[(3S)-3-oxidanylbutanoyl]oxy-4-phenylmethoxy-hex-2-enoic acid

Systemtic Name: (E,4R,5S)-5-[(3S)-3-oxidanylbutanoyl]oxy-4-phenylmethoxy-hex-2-enoic acid Openeye Name: (E,4R,5S)-4-benzyloxy-5-[(3S)-3-hydroxybutanoyl]oxy-hex-2-enoic acid CAS Name: (E,4R,5S)-5-[(3S)-3-hydroxy-1-oxobutoxy]-4-phenylmethoxy-2-hexenoic acid IUPAC Name: (E,4R,5S)-5-[(3S)-3-hydroxybutanoyl]oxy-4-phenylmethoxyhex-2-enoic acid Traditional Name: (E,4R,5S)-4-benzoxy-5-[(3S)-3-hydroxybutanoyl]oxy-hex-2-enoic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6/c1-12(18)10-17(21)23-13(2)15(8-9-16(19)20)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