2-ethoxy-3-[4-[5-(phenylmethylsulfanyl)pentoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[5-(phenylmethylsulfanyl)pentoxy]phenyl]propanoic acid Openeye Name: 3-[4-(5-benzylsulfanylpentoxy)phenyl]-2-ethoxy-propanoic acid CAS Name: 2-ethoxy-3-[4-[5-(phenylmethylthio)pentoxy]phenyl]propanoic acid IUPAC Name: 3-[4-(5-benzylsulfanylpentoxy)phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[5-(benzylthio)pentoxy]phenyl]-2-ethoxy-propionic acid Formula: C23H30O4S MolecularWeight: 402.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCCCCSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCCCCSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H30O4S/c1-2-26-22(23(24)25)17-19-11-13-21(14-12-19)27-15-7-4-8-16-28-18-20-9-5-3-6-10-20/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3,(H,24,25)