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

Systemtic Name: ethyl 3-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H26O6 MolecularWeight: 386.43824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O6/c1-2-27-21(25)18-10-6-9-16(13-18)11-12-20(24)19(14-23)22(26)28-15-17-7-4-3-5-8-17/h3-10,13,19-20,23-24H,2,11-12,14-15H2,1H3/t19-,20-/m0/s1