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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-nonoxyphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-nonoxyphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(2-nonoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-nonoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(2-nonoxyphenyl)methyl]thio]propionic acid Formula: C22H34O5S2 MolecularWeight: 442.63236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C22H34O5S2/c1-2-3-4-5-6-7-10-15-27-19-12-9-8-11-18(19)22(28-16-13-20(23)24)29-17-14-21(25)26/h8-9,11-12,22H,2-7,10,13-17H2,1H3,(H,23,24)(H,25,26)