methyl 4-[4-(1-oxidanyl-6-oxidanylidene-6-phenylmethoxy-hexyl)phenyl]benzoate

Systemtic Name: methyl 4-[4-(1-oxidanyl-6-oxidanylidene-6-phenylmethoxy-hexyl)phenyl]benzoate Openeye Name: methyl 4-[4-(6-benzyloxy-1-hydroxy-6-oxo-hexyl)phenyl]benzoate CAS Name: 4-[4-(1-hydroxy-6-oxo-6-phenylmethoxyhexyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-hydroxy-6-oxo-6-phenylmethoxyhexyl)phenyl]benzoate Traditional Name: 4-[4-(6-benzoxy-1-hydroxy-6-keto-hexyl)phenyl]benzoic acid methyl ester Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCCCC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCCCC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C27H28O5/c1-31-27(30)24-17-13-22(14-18-24)21-11-15-23(16-12-21)25(28)9-5-6-10-26(29)32-19-20-7-3-2-4-8-20/h2-4,7-8,11-18,25,28H,5-6,9-10,19H2,1H3