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

Systemtic Name: hexyl 3-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O6/c1-2-3-4-8-16-31-25(29)22-13-9-12-20(17-22)14-15-24(28)23(18-27)26(30)32-19-21-10-6-5-7-11-21/h5-7,9-13,17,23-24,27-28H,2-4,8,14-16,18-19H2,1H3/t23-,24-/m0/s1