(2S,3R)-2-(4-bromophenyl)-3-phenyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiine

Systemtic Name: (2S,3R)-2-(4-bromophenyl)-3-phenyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiine Openeye Name: (2S,3R)-6-benzyloxy-2-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,4-benzoxathiine CAS Name: (2S,3R)-2-(4-bromophenyl)-3-phenyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin IUPAC Name: (2S,3R)-2-(4-bromophenyl)-3-phenyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiine Traditional Name: (2S,3R)-6-benzoxy-2-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,4-benzoxathiin Formula: C27H21BrO2S MolecularWeight: 489.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)OC(C(S3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)O[C@H]([C@H](S3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrO2S/c28-22-13-11-20(12-14-22)26-27(21-9-5-2-6-10-21)31-25-17-23(15-16-24(25)30-26)29-18-19-7-3-1-4-8-19/h1-17,26-27H,18H2/t26-,27+/m0/s1