2-[[3-(carboxymethylsulfanylmethyl)-5-methyl-2-oxidanyl-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(carboxymethylsulfanylmethyl)-5-methyl-2-oxidanyl-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(carboxymethylsulfanylmethyl)-2-hydroxy-5-methyl-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[(carboxymethylthio)methyl]-2-hydroxy-5-methylphenyl]methylthio]acetic acid IUPAC Name: 2-[[3-(carboxymethylsulfanylmethyl)-2-hydroxy-5-methylphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[(carboxymethylthio)methyl]-2-hydroxy-5-methyl-benzyl]thio]acetic acid Formula: C13H16O5S2 MolecularWeight: 316.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CSCC(=O)O)O)CSCC(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)CSCC(=O)O)O)CSCC(=O)O

InChI

InChI=1S/C13H16O5S2/c1-8-2-9(4-19-6-11(14)15)13(18)10(3-8)5-20-7-12(16)17/h2-3,18H,4-7H2,1H3,(H,14,15)(H,16,17)