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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C22H34O5S2/c1-2-3-4-5-6-7-8-14-27-19-11-9-10-18(17-19)22(28-15-12-20(23)24)29-16-13-21(25)26/h9-11,17,22H,2-8,12-16H2,1H3,(H,23,24)(H,25,26)