methyl (3S,6S)-6-bromanyl-3,4,5-tris(phenylcarbonyloxy)oxane-2-carboxylate

Systemtic Name: methyl (3S,6S)-6-bromanyl-3,4,5-tris(phenylcarbonyloxy)oxane-2-carboxylate Openeye Name: methyl (3S,6S)-3,4,5-tribenzoyloxy-6-bromo-tetrahydropyran-2-carboxylate CAS Name: (3S,6S)-3,4,5-tribenzoyloxy-6-bromo-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-3,4,5-tribenzoyloxy-6-bromooxane-2-carboxylate Traditional Name: (3S,6S)-3,4,5-tribenzoyloxy-6-bromo-tetrahydropyran-2-carboxylic acid methyl ester Formula: C28H23BrO9 MolecularWeight: 583.38082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C(O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1[C@H](C(C([C@@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20?,21-,22?,23?,24+/m0/s1