3-[2-carboxyethylsulfanyl-(2-decylphenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-decylphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-decylphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(2-decylphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-decylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(2-decylphenyl)methyl]thio]propionic acid Formula: C23H36O4S2 MolecularWeight: 440.65954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H36O4S2/c1-2-3-4-5-6-7-8-9-12-19-13-10-11-14-20(19)23(28-17-15-21(24)25)29-18-16-22(26)27/h10-11,13-14,23H,2-9,12,15-18H2,1H3,(H,24,25)(H,26,27)