2-(carboxymethylsulfanyl)-2-(2-dodecylphenyl)ethanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-(2-dodecylphenyl)ethanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-(2-dodecylphenyl)acetic acid CAS Name: 2-(carboxymethylthio)-2-(2-dodecylphenyl)acetic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-(2-dodecylphenyl)acetic acid Traditional Name: 2-(carboxymethylthio)-2-(2-laurylphenyl)acetic acid Formula: C22H34O4S MolecularWeight: 394.56796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)21(22(25)26)27-17-20(23)24/h12-13,15-16,21H,2-11,14,17H2,1H3,(H,23,24)(H,25,26)