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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(3-tridecoxyphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(3-tridecoxyphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(3-tridecoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(3-tridecoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(3-tridecoxyphenyl)methyl]thio]propionic acid Formula: C26H42O5S2 MolecularWeight: 498.73868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C26H42O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-31-23-15-13-14-22(21-23)26(32-19-16-24(27)28)33-20-17-25(29)30/h13-15,21,26H,2-12,16-20H2,1H3,(H,27,28)(H,29,30)