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

Systemtic Name: 2-[3-[3-(3-methoxy-4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(3-methoxy-4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-[3-(3-methoxy-4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[3-[3-(3-methoxy-4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-[3-(3-methoxy-4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C27H30O5S/c1-3-9-23-24(14-15-25(27(23)30-2)32-21-11-5-4-6-12-21)31-16-8-17-33-22-13-7-10-20(18-22)19-26(28)29/h4-7,10-15,18H,3,8-9,16-17,19H2,1-2H3,(H,28,29)