2-[[3-[[4-(4-propylphenyl)phenyl]methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[[4-(4-propylphenyl)phenyl]methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[[4-(4-propylphenyl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[[4-(4-propylphenyl)phenyl]methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[[4-(4-propylphenyl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[4-(4-propylphenyl)benzyl]oxybenzyl]thio]acetic acid Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)CSCC(=O)O

InChI

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