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

Systemtic Name: 2-[3-chloranyl-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-6-benzofuranyl)oxy]propylthio]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylthio]phenyl]acetate Formula: C28H26ClO4S- MolecularWeight: 494.02164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC=C2C3=CC=CC=C3)OCCCSC4=C(C=C(C=C4)CC(=O)[O-])Cl

Isomeric SMILES

CCCC1=C(C=CC2=C1OC=C2C3=CC=CC=C3)OCCCSC4=C(C=C(C=C4)CC(=O)[O-])Cl

InChI

InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)/p-1