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

Systemtic Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid Openeye Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid CAS Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]propanoic acid IUPAC Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]propanoic acid Traditional Name: 2-[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)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30O4S/c1-3-8-22-19-24(31-23-9-5-4-6-10-23)13-16-26(22)30-17-7-18-32-25-14-11-21(12-15-25)20(2)27(28)29/h4-6,9-16,19-20H,3,7-8,17-18H2,1-2H3,(H,28,29)