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

Systemtic Name: methyl 4-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]benzoate Openeye Name: methyl 4-[(3S,4S)-5-benzyloxy-3-hydroxy-4-(hydroxymethyl)-5-oxo-pentyl]benzoate CAS Name: 4-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]benzoate Traditional Name: 4-[(3S,4S)-5-benzoxy-3-hydroxy-5-keto-4-methylol-pentyl]benzoic acid methyl ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O6/c1-26-20(24)17-10-7-15(8-11-17)9-12-19(23)18(13-22)21(25)27-14-16-5-3-2-4-6-16/h2-8,10-11,18-19,22-23H,9,12-14H2,1H3/t18-,19-/m0/s1