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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(3-undecoxyphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(3-undecoxyphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(3-undecoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(3-undecoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(3-undecoxyphenyl)methyl]thio]propionic acid Formula: C24H38O5S2 MolecularWeight: 470.68552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H38O5S2/c1-2-3-4-5-6-7-8-9-10-16-29-21-13-11-12-20(19-21)24(30-17-14-22(25)26)31-18-15-23(27)28/h11-13,19,24H,2-10,14-18H2,1H3,(H,25,26)(H,27,28)