[(1S,2R,3R,5S,6S)-6-bromanyl-1,2-bis(phenylcarbonyloxy)-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl benzoate

Systemtic Name: [(1S,2R,3R,5S,6S)-6-bromanyl-1,2-bis(phenylcarbonyloxy)-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl benzoate Openeye Name: [(1S,2R,3R,5S,6S)-1,2-dibenzoyloxy-6-bromo-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl benzoate CAS Name: benzoic acid [(1S,2R,3R,5S,6S)-1,2-dibenzoyloxy-6-bromo-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl ester IUPAC Name: [(1S,2R,3R,5S,6S)-1,2-dibenzoyloxy-6-bromo-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,3R,5S,6S)-1,2-dibenzoyloxy-6-bromo-4,7,10-trioxaspiro[4.5]decan-3-yl]methyl ester Formula: C29H25BrO9 MolecularWeight: 597.4074

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O1)Br

Isomeric SMILES

C1CO[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)[C@@H](O1)Br

InChI

InChI=1S/C29H25BrO9/c30-28-29(36-17-16-34-28)24(38-27(33)21-14-8-3-9-15-21)23(37-26(32)20-12-6-2-7-13-20)22(39-29)18-35-25(31)19-10-4-1-5-11-19/h1-15,22-24,28H,16-18H2/t22-,23-,24+,28-,29+/m1/s1