3-[2-carboxyethylsulfanyl-(2-dodecyl-6-methyl-phenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-dodecyl-6-methyl-phenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-dodecyl-6-methyl-phenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(2-dodecyl-6-methylphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-dodecyl-6-methylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(2-lauryl-6-methyl-phenyl)methyl]thio]propionic acid Formula: C26H42O4S2 MolecularWeight: 482.73928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC(=C1C(SCCC(=O)O)SCCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC(=C1C(SCCC(=O)O)SCCC(=O)O)C

InChI

InChI=1S/C26H42O4S2/c1-3-4-5-6-7-8-9-10-11-12-15-22-16-13-14-21(2)25(22)26(31-19-17-23(27)28)32-20-18-24(29)30/h13-14,16,26H,3-12,15,17-20H2,1-2H3,(H,27,28)(H,29,30)