2-(4-iodophenyl)-6-phenylmethoxy-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiine

Systemtic Name: 2-(4-iodophenyl)-6-phenylmethoxy-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiine Openeye Name: 6-benzyloxy-3-(3-benzyloxyphenyl)-2-(4-iodophenyl)-2,3-dihydro-1,4-benzoxathiine CAS Name: 2-(4-iodophenyl)-6-phenylmethoxy-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiin IUPAC Name: 2-(4-iodophenyl)-6-phenylmethoxy-3-(3-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzoxathiine Traditional Name: 6-benzoxy-3-(3-benzoxyphenyl)-2-(4-iodophenyl)-2,3-dihydro-1,4-benzoxathiin Formula: C34H27IO3S MolecularWeight: 642.54585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)OC(C(S3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)OC(C(S3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)I

InChI

InChI=1S/C34H27IO3S/c35-28-16-14-26(15-17-28)33-34(27-12-7-13-29(20-27)36-22-24-8-3-1-4-9-24)39-32-21-30(18-19-31(32)38-33)37-23-25-10-5-2-6-11-25/h1-21,33-34H,22-23H2