2-[[4-(carboxymethyl)phenyl]methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[[4-(carboxymethyl)phenyl]methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[[4-(carboxymethyl)phenyl]methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[[4-(carboxymethyl)phenyl]methyl]-5-sulfanylpentanoic acid Traditional Name: 2-[4-(carboxymethyl)benzyl]-5-mercapto-valeric acid Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCCS)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CCCS)C(=O)O)CC(=O)O

InChI

InChI=1S/C14H18O4S/c15-13(16)9-11-5-3-10(4-6-11)8-12(14(17)18)2-1-7-19/h3-6,12,19H,1-2,7-9H2,(H,15,16)(H,17,18)