2-(2-carboxyethylsulfanylmethyl)-2-octadecyl-icosanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-octadecyl-icosanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-octadecyl-icosanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-octadecyleicosanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-octadecylicosanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-stearyl-arachidic acid Formula: C42H82O4S MolecularWeight: 683.16308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(41(45)46,39-47-38-35-40(43)44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,43,44)(H,45,46)