2-methyl-2-[3-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid

Systemtic Name: 2-methyl-2-[3-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid Openeye Name: 2-methyl-2-[3-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid CAS Name: 2-methyl-2-[3-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]propanoic acid IUPAC Name: 2-methyl-2-[3-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]propanoic acid Traditional Name: 2-methyl-2-[3-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]propionic acid Formula: C28H32O4S MolecularWeight: 464.61628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)C(C)(C)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)C(C)(C)C(=O)O

InChI

InChI=1S/C28H32O4S/c1-4-10-21-19-24(32-23-12-6-5-7-13-23)15-16-26(21)31-17-9-18-33-25-14-8-11-22(20-25)28(2,3)27(29)30/h5-8,11-16,19-20H,4,9-10,17-18H2,1-3H3,(H,29,30)