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

Systemtic Name: 3-[2-carboxyethylsulfanyl-(2-tetradecylphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(2-tetradecylphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(2-tetradecylphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(2-tetradecylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(2-myristylphenyl)methyl]thio]propionic acid Formula: C27H44O4S2 MolecularWeight: 496.76586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C27H44O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-14-15-18-24(23)27(32-21-19-25(28)29)33-22-20-26(30)31/h14-15,17-18,27H,2-13,16,19-22H2,1H3,(H,28,29)(H,30,31)