2-[3-chloranyl-4-[3-[(3-ethyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-[(3-ethyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(3-ethyl-7-propyl-benzofuran-6-yl)oxypropylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-[(3-ethyl-7-propyl-6-benzofuranyl)oxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-[(3-ethyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[3-(3-ethyl-7-propyl-benzofuran-6-yl)oxypropylthio]phenyl]acetic acid Formula: C24H27ClO4S MolecularWeight: 446.98678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC=C2CC)OCCCSC3=C(C=C(C=C3)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC2=C1OC=C2CC)OCCCSC3=C(C=C(C=C3)CC(=O)O)Cl

InChI

InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27)