3-[1-(2-carboxyethylsulfanyl)-1-(2-undecoxyphenyl)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-carboxyethylsulfanyl)-1-(2-undecoxyphenyl)ethyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-carboxyethylsulfanyl)-1-(2-undecoxyphenyl)ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-carboxyethylthio)-1-(2-undecoxyphenyl)ethyl]thio]propanoic acid IUPAC Name: 3-[1-(2-carboxyethylsulfanyl)-1-(2-undecoxyphenyl)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[1-(2-carboxyethylthio)-1-(2-undecoxyphenyl)ethyl]thio]propionic acid Formula: C25H40O5S2 MolecularWeight: 484.7121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=CC=C1C(C)(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=CC=CC=C1C(C)(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C25H40O5S2/c1-3-4-5-6-7-8-9-10-13-18-30-22-15-12-11-14-21(22)25(2,31-19-16-23(26)27)32-20-17-24(28)29/h11-12,14-15H,3-10,13,16-20H2,1-2H3,(H,26,27)(H,28,29)