[(2S)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxy-oxan-2-yl]propyl] 4-bromanylbenzoate

Systemtic Name: [(2S)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxy-oxan-2-yl]propyl] 4-bromanylbenzoate Openeye Name: [(2S)-2-[(2R,3S,6S)-3-benzyloxy-6-methyl-tetrahydropyran-2-yl]propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxy-2-oxanyl]propyl] ester IUPAC Name: [(2S)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2S)-2-[(2R,3S,6S)-3-benzoxy-6-methyl-tetrahydropyran-2-yl]propyl] ester Formula: C23H27BrO4 MolecularWeight: 447.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(O1)C(C)COC(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](O1)[C@@H](C)COC(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27BrO4/c1-16(14-27-23(25)19-9-11-20(24)12-10-19)22-21(13-8-17(2)28-22)26-15-18-6-4-3-5-7-18/h3-7,9-12,16-17,21-22H,8,13-15H2,1-2H3/t16-,17-,21-,22+/m0/s1