2-[[4-[2-(4-phenylsulfanylphenyl)ethoxy]phenyl]methyl]butanoic acid

Systemtic Name: 2-[[4-[2-(4-phenylsulfanylphenyl)ethoxy]phenyl]methyl]butanoic acid Openeye Name: 2-[[4-[2-(4-phenylsulfanylphenyl)ethoxy]phenyl]methyl]butanoic acid CAS Name: 2-[[4-[2-[4-(phenylthio)phenyl]ethoxy]phenyl]methyl]butanoic acid IUPAC Name: 2-[[4-[2-(4-phenylsulfanylphenyl)ethoxy]phenyl]methyl]butanoic acid Traditional Name: 2-[4-[2-[4-(phenylthio)phenyl]ethoxy]benzyl]butyric acid Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H26O3S/c1-2-21(25(26)27)18-20-8-12-22(13-9-20)28-17-16-19-10-14-24(15-11-19)29-23-6-4-3-5-7-23/h3-15,21H,2,16-18H2,1H3,(H,26,27)