2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-hexadecanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-hexadecanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-hexadecanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-dodecylhexadecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecylhexadecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-lauryl-palmitic acid Formula: C32H62O4S MolecularWeight: 542.89728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-16-18-20-22-24-27-32(31(35)36,29-37-28-25-30(33)34)26-23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3,(H,33,34)(H,35,36)