2-[[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[4-(1,3-benzodioxol-5-yl)benzyl]oxybenzyl]thio]acetic acid Formula: C23H20O5S MolecularWeight: 408.4669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)COC4=CC=CC(=C4)CSCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)COC4=CC=CC(=C4)CSCC(=O)O

InChI

InChI=1S/C23H20O5S/c24-23(25)14-29-13-17-2-1-3-20(10-17)26-12-16-4-6-18(7-5-16)19-8-9-21-22(11-19)28-15-27-21/h1-11H,12-15H2,(H,24,25)