[(2S,3R,6S)-2-[(4-bromophenyl)methoxymethyl]-6-methoxy-oxan-3-yl]methyl benzoate

Systemtic Name: [(2S,3R,6S)-2-[(4-bromophenyl)methoxymethyl]-6-methoxy-oxan-3-yl]methyl benzoate Openeye Name: [(2S,3R,6S)-2-[(4-bromophenyl)methoxymethyl]-6-methoxy-tetrahydropyran-3-yl]methyl benzoate CAS Name: benzoic acid [(2S,3R,6S)-2-[(4-bromophenyl)methoxymethyl]-6-methoxy-3-oxanyl]methyl ester IUPAC Name: [(2S,3R,6S)-2-[(4-bromophenyl)methoxymethyl]-6-methoxyoxan-3-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3R,6S)-2-[(4-bromobenzyl)oxymethyl]-6-methoxy-tetrahydropyran-3-yl]methyl ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(O1)COCC2=CC=C(C=C2)Br)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1CC[C@@H]([C@H](O1)COCC2=CC=C(C=C2)Br)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrO5/c1-25-21-12-9-18(14-27-22(24)17-5-3-2-4-6-17)20(28-21)15-26-13-16-7-10-19(23)11-8-16/h2-8,10-11,18,20-21H,9,12-15H2,1H3/t18-,20-,21+/m1/s1