3-[3-[3-[(7-butyl-3-phenyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[3-[(7-butyl-3-phenyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[3-[3-(7-butyl-3-phenyl-benzofuran-6-yl)oxypropylsulfanyl]phenyl]propanoic acid CAS Name: 3-[3-[3-[(7-butyl-3-phenyl-6-benzofuranyl)oxy]propylthio]phenyl]propanoic acid IUPAC Name: 3-[3-[3-[(7-butyl-3-phenyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[3-[3-(7-butyl-3-phenyl-benzofuran-6-yl)oxypropylthio]phenyl]propionic acid Formula: C30H32O4S MolecularWeight: 488.63768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1OC=C2C3=CC=CC=C3)OCCCSC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CCCCC1=C(C=CC2=C1OC=C2C3=CC=CC=C3)OCCCSC4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C30H32O4S/c1-2-3-13-26-28(16-15-25-27(21-34-30(25)26)23-10-5-4-6-11-23)33-18-8-19-35-24-12-7-9-22(20-24)14-17-29(31)32/h4-7,9-12,15-16,20-21H,2-3,8,13-14,17-19H2,1H3,(H,31,32)