(2S,3R)-2-(4-iodophenyl)-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: (2S,3R)-2-(4-iodophenyl)-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-(3-benzyloxyphenyl)-2-(4-iodophenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-2-(4-iodophenyl)-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-2-(4-iodophenyl)-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-(3-benzoxyphenyl)-2-(4-iodophenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H21IO3S MolecularWeight: 552.42331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3C(OC4=C(S3)C=C(C=C4)O)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)[C@@H]3[C@@H](OC4=C(S3)C=C(C=C4)O)C5=CC=C(C=C5)I

InChI

InChI=1S/C27H21IO3S/c28-21-11-9-19(10-12-21)26-27(32-25-16-22(29)13-14-24(25)31-26)20-7-4-8-23(15-20)30-17-18-5-2-1-3-6-18/h1-16,26-27,29H,17H2/t26-,27+/m0/s1