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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-octylphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-octylphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(2-octylphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-octylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(2-octylphenyl)methyl]thio]propionic acid Formula: C21H32O4S2 MolecularWeight: 412.60638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C21H32O4S2/c1-2-3-4-5-6-7-10-17-11-8-9-12-18(17)21(26-15-13-19(22)23)27-16-14-20(24)25/h8-9,11-12,21H,2-7,10,13-16H2,1H3,(H,22,23)(H,24,25)