4-[4-[bis(4-methylsulfanylphenyl)-oxidanyl-methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[bis(4-methylsulfanylphenyl)-oxidanyl-methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[hydroxy-bis(4-methylsulfanylphenyl)methyl]phenoxy]butanoic acid CAS Name: 4-[4-[hydroxy-bis[4-(methylthio)phenyl]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[hydroxy-bis(4-methylsulfanylphenyl)methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[hydroxy-bis[4-(methylthio)phenyl]methyl]phenoxy]butyric acid Formula: C25H26O4S2 MolecularWeight: 454.60154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCCC(=O)O)(C3=CC=C(C=C3)SC)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCCC(=O)O)(C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C25H26O4S2/c1-30-22-13-7-19(8-14-22)25(28,20-9-15-23(31-2)16-10-20)18-5-11-21(12-6-18)29-17-3-4-24(26)27/h5-16,28H,3-4,17H2,1-2H3,(H,26,27)