2-[carboxymethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-(2-dodecylphenyl)methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-(2-laurylphenyl)methyl]thio]acetic acid Formula: C23H36O4S2 MolecularWeight: 440.65954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C23H36O4S2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)23(28-17-21(24)25)29-18-22(26)27/h12-13,15-16,23H,2-11,14,17-18H2,1H3,(H,24,25)(H,26,27)