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

Systemtic Name: hexyl 3-[(3S,4S)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-4-[(triphenylmethyl)oxymethyl]pentyl]benzoate Openeye Name: hexyl 3-[(3S,4S)-5-benzyloxy-3-hydroxy-5-oxo-4-(trityloxymethyl)pentyl]benzoate CAS Name: 3-[(3S,4S)-3-hydroxy-5-oxo-5-phenylmethoxy-4-[(triphenylmethyl)oxymethyl]pentyl]benzoic acid hexyl ester IUPAC Name: hexyl 3-[(3S,4S)-3-hydroxy-5-oxo-5-phenylmethoxy-4-(trityloxymethyl)pentyl]benzoate Traditional Name: 3-[(3S,4S)-5-benzoxy-3-hydroxy-5-keto-4-(trityloxymethyl)pentyl]benzoic acid hexyl ester Formula: C45H48O6 MolecularWeight: 684.85902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC=C1)CCC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC=C1)CC[C@@H]([C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C45H48O6/c1-2-3-4-17-31-49-43(47)37-22-18-21-35(32-37)29-30-42(46)41(44(48)50-33-36-19-9-5-10-20-36)34-51-45(38-23-11-6-12-24-38,39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-16,18-28,32,41-42,46H,2-4,17,29-31,33-34H2,1H3/t41-,42-/m0/s1