6-(4-phenylmethoxyphenyl)-2-sulfanyl-hexanoic acid

Systemtic Name: 6-(4-phenylmethoxyphenyl)-2-sulfanyl-hexanoic acid Openeye Name: 6-(4-benzyloxyphenyl)-2-sulfanyl-hexanoic acid CAS Name: 2-mercapto-6-(4-phenylmethoxyphenyl)hexanoic acid IUPAC Name: 6-(4-phenylmethoxyphenyl)-2-sulfanylhexanoic acid Traditional Name: 6-(4-benzoxyphenyl)-2-mercapto-hexanoic acid Formula: C19H22O3S MolecularWeight: 330.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCCC(C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCCC(C(=O)O)S

InChI

InChI=1S/C19H22O3S/c20-19(21)18(23)9-5-4-6-15-10-12-17(13-11-15)22-14-16-7-2-1-3-8-16/h1-3,7-8,10-13,18,23H,4-6,9,14H2,(H,20,21)