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

Systemtic Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]propionic acid Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O4S/c1-2-7-22-20-24(31-23-8-4-3-5-9-23)13-16-26(22)30-18-6-19-32-25-14-10-21(11-15-25)12-17-27(28)29/h3-5,8-11,13-16,20H,2,6-7,12,17-19H2,1H3,(H,28,29)