(1S,2R)-1-(4-iodophenyl)-2-(3-phenylmethoxyphenyl)-2-sulfanyl-ethanol

Systemtic Name: (1S,2R)-1-(4-iodophenyl)-2-(3-phenylmethoxyphenyl)-2-sulfanyl-ethanol Openeye Name: (1S,2R)-2-(3-benzyloxyphenyl)-1-(4-iodophenyl)-2-sulfanyl-ethanol CAS Name: (1S,2R)-1-(4-iodophenyl)-2-mercapto-2-(3-phenylmethoxyphenyl)ethanol IUPAC Name: (1S,2R)-1-(4-iodophenyl)-2-(3-phenylmethoxyphenyl)-2-sulfanylethanol Traditional Name: (1S,2R)-2-(3-benzoxyphenyl)-1-(4-iodophenyl)-2-mercapto-ethanol Formula: C21H19IO2S MolecularWeight: 462.34383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(C(C3=CC=C(C=C3)I)O)S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)[C@H]([C@H](C3=CC=C(C=C3)I)O)S

InChI

InChI=1S/C21H19IO2S/c22-18-11-9-16(10-12-18)20(23)21(25)17-7-4-8-19(13-17)24-14-15-5-2-1-3-6-15/h1-13,20-21,23,25H,14H2/t20-,21+/m0/s1