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

Systemtic Name: 2-[3-chloranyl-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylsulfanyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-6-benzofuranyl)oxy]propylthio]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[3-chloro-4-[3-(3-phenyl-7-propyl-benzofuran-6-yl)oxypropylthio]phenyl]-2-methyl-propionic acid Formula: C30H31ClO4S MolecularWeight: 523.08274

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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)C(C)(C)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H31ClO4S/c1-4-9-23-26(14-13-22-24(19-35-28(22)23)20-10-6-5-7-11-20)34-16-8-17-36-27-15-12-21(18-25(27)31)30(2,3)29(32)33/h5-7,10-15,18-19H,4,8-9,16-17H2,1-3H3,(H,32,33)