[(3S,4R,5R,6S)-5-acetyloxy-6-bromanyl-4-methyl-6-phenyl-3-(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [(3S,4R,5R,6S)-5-acetyloxy-6-bromanyl-4-methyl-6-phenyl-3-(phenylcarbonyloxy)hexyl] benzoate Openeye Name: [(3S,4R,5R,6S)-5-acetoxy-3-benzoyloxy-6-bromo-4-methyl-6-phenyl-hexyl] benzoate CAS Name: benzoic acid [(3S,4R,5R,6S)-5-acetyloxy-3-benzoyloxy-6-bromo-4-methyl-6-phenylhexyl] ester IUPAC Name: [(3S,4R,5R,6S)-5-acetyloxy-3-benzoyloxy-6-bromo-4-methyl-6-phenylhexyl] benzoate Traditional Name: benzoic acid [(3S,4R,5R,6S)-5-acetoxy-3-benzoyloxy-6-bromo-4-methyl-6-phenyl-hexyl] ester Formula: C29H29BrO6 MolecularWeight: 553.44096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)C(C(C3=CC=CC=C3)Br)OC(=O)C

Isomeric SMILES

C[C@H]([C@H](CCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)[C@H]([C@H](C3=CC=CC=C3)Br)OC(=O)C

InChI

InChI=1S/C29H29BrO6/c1-20(27(35-21(2)31)26(30)22-12-6-3-7-13-22)25(36-29(33)24-16-10-5-11-17-24)18-19-34-28(32)23-14-8-4-9-15-23/h3-17,20,25-27H,18-19H2,1-2H3/t20-,25+,26+,27-/m1/s1