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

Systemtic Name: 2-[4-[3-(3-oxidanyl-4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(3-hydroxy-4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[3-(3-hydroxy-4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(3-hydroxy-4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(3-hydroxy-4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C26H28O5S MolecularWeight: 452.56252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)OC2=CC=CC=C2)OCCCSC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)OC2=CC=CC=C2)OCCCSC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C26H28O5S/c1-2-7-22-23(14-15-24(26(22)29)31-20-8-4-3-5-9-20)30-16-6-17-32-21-12-10-19(11-13-21)18-25(27)28/h3-5,8-15,29H,2,6-7,16-18H2,1H3,(H,27,28)