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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-undecylsulfanylphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-undecylsulfanylphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(undecylthio)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-undecylsulfanylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(undecylthio)phenyl]methyl]thio]propionic acid Formula: C24H38O4S3 MolecularWeight: 486.75112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCSC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H38O4S3/c1-2-3-4-5-6-7-8-9-12-17-29-21-14-11-10-13-20(21)24(30-18-15-22(25)26)31-19-16-23(27)28/h10-11,13-14,24H,2-9,12,15-19H2,1H3,(H,25,26)(H,27,28)