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

Systemtic Name: 2-[3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C26H27ClO4S MolecularWeight: 471.00818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClO4S/c1-2-7-20-18-22(31-21-8-4-3-5-9-21)11-12-24(20)30-14-6-15-32-25-13-10-19(16-23(25)27)17-26(28)29/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,28,29)