3-[2-carboxyethylsulfanyl-(4-undecoxyphenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(4-undecoxyphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(4-undecoxyphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(4-undecoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(4-undecoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(4-undecoxyphenyl)methyl]thio]propionic acid Formula: C24H38O5S2 MolecularWeight: 470.68552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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