3-[4-methoxy-3-[4-(3-oxidanyl-1-phenylsulfanyl-propyl)phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-methoxy-3-[4-(3-oxidanyl-1-phenylsulfanyl-propyl)phenoxy]phenyl]propanoic acid Openeye Name: 3-[3-[4-(3-hydroxy-1-phenylsulfanyl-propyl)phenoxy]-4-methoxy-phenyl]propanoic acid CAS Name: 3-[3-[4-[3-hydroxy-1-(phenylthio)propyl]phenoxy]-4-methoxyphenyl]propanoic acid IUPAC Name: 3-[3-[4-(3-hydroxy-1-phenylsulfanylpropyl)phenoxy]-4-methoxyphenyl]propanoic acid Traditional Name: 3-[3-[4-[3-hydroxy-1-(phenylthio)propyl]phenoxy]-4-methoxy-phenyl]propionic acid Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)O)OC2=CC=C(C=C2)C(CCO)SC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)O)OC2=CC=C(C=C2)C(CCO)SC3=CC=CC=C3

InChI

InChI=1S/C25H26O5S/c1-29-22-13-7-18(8-14-25(27)28)17-23(22)30-20-11-9-19(10-12-20)24(15-16-26)31-21-5-3-2-4-6-21/h2-7,9-13,17,24,26H,8,14-16H2,1H3,(H,27,28)