propyl 3-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]benzoate

Systemtic Name: propyl 3-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]benzoate Openeye Name: propyl 3-[(3S,4S)-5-benzyloxy-3-hydroxy-4-(hydroxymethyl)-5-oxo-pentyl]benzoate CAS Name: 3-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]benzoic acid propyl ester IUPAC Name: propyl 3-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]benzoate Traditional Name: 3-[(3S,4S)-5-benzoxy-3-hydroxy-5-keto-4-methylol-pentyl]benzoic acid propyl ester Formula: C23H28O6 MolecularWeight: 400.46482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)CCC(C(CO)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)CC[C@@H]([C@H](CO)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C23H28O6/c1-2-13-28-22(26)19-10-6-9-17(14-19)11-12-21(25)20(15-24)23(27)29-16-18-7-4-3-5-8-18/h3-10,14,20-21,24-25H,2,11-13,15-16H2,1H3/t20-,21-/m0/s1