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

Systemtic Name: methyl 3-[[3-[4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]phenyl]methyl]benzoate Openeye Name: methyl 3-[[3-[5-benzyloxy-3-hydroxy-4-(hydroxymethyl)-5-oxo-pentyl]phenyl]methyl]benzoate CAS Name: 3-[[3-[3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]phenyl]methyl]benzoate Traditional Name: 3-[3-(5-benzoxy-3-hydroxy-5-keto-4-methylol-pentyl)benzyl]benzoic acid methyl ester Formula: C28H30O6 MolecularWeight: 462.5342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2=CC(=CC=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2=CC(=CC=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C28H30O6/c1-33-27(31)24-12-6-11-23(17-24)16-22-10-5-9-20(15-22)13-14-26(30)25(18-29)28(32)34-19-21-7-3-2-4-8-21/h2-12,15,17,25-26,29-30H,13-14,16,18-19H2,1H3