3-[3-(3-methyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3-methyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(2-benzyloxy-3-methyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[2-hydroxy-3-(3-methyl-2-phenylmethoxyphenyl)propyl]thio]propanoic acid IUPAC Name: 3-[2-hydroxy-3-(3-methyl-2-phenylmethoxyphenyl)propyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(2-benzoxy-3-methyl-phenyl)-2-hydroxy-propyl]thio]propionic acid Formula: C20H24O4S MolecularWeight: 360.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(CSCCC(=O)O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)CC(CSCCC(=O)O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c1-15-6-5-9-17(12-18(21)14-25-11-10-19(22)23)20(15)24-13-16-7-3-2-4-8-16/h2-9,18,21H,10-14H2,1H3,(H,22,23)