2-(2-carboxyethylsulfanylmethyl)-2-docosyl-tetracosanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-docosyl-tetracosanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-docosyl-tetracosanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-docosyltetracosanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-docosyltetracosanoic acid Traditional Name: 2-behenyl-2-[(2-carboxyethylthio)methyl]lignoceric acid Formula: C50H98O4S MolecularWeight: 795.37572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C50H98O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-50(49(53)54,47-55-46-43-48(51)52)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3,(H,51,52)(H,53,54)