3-[[4-(2-carboxyethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(2-carboxyethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[4-(2-carboxyethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[(2-carboxyethylthio)methyl]phenyl]methylthio]propanoic acid IUPAC Name: 3-[[4-(2-carboxyethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[4-[(2-carboxyethylthio)methyl]benzyl]thio]propionic acid Formula: C14H18O4S2 MolecularWeight: 314.42032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)O)CSCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)O)CSCCC(=O)O

InChI

InChI=1S/C14H18O4S2/c15-13(16)5-7-19-9-11-1-2-12(4-3-11)10-20-8-6-14(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18)