2-(2-carboxyethylsulfanylmethyl)-2-decyl-dodecanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-decyl-dodecanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-decyl-dodecanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-decyldodecanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-decyldodecanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-decyl-lauric acid Formula: C26H50O4S MolecularWeight: 458.7378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C26H50O4S/c1-3-5-7-9-11-13-15-17-20-26(25(29)30,23-31-22-19-24(27)28)21-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3,(H,27,28)(H,29,30)