2-[(2-carboxy-2-dodecyl-tetradecyl)sulfanylmethyl]-2-octadecyl-icosanoic acid

Systemtic Name: 2-[(2-carboxy-2-dodecyl-tetradecyl)sulfanylmethyl]-2-octadecyl-icosanoic acid Openeye Name: 2-[(2-carboxy-2-dodecyl-tetradecyl)sulfanylmethyl]-2-octadecyl-icosanoic acid CAS Name: 2-[[(2-carboxy-2-dodecyltetradecyl)thio]methyl]-2-octadecyleicosanoic acid IUPAC Name: 2-[(2-carboxy-2-dodecyltetradecyl)sulfanylmethyl]-2-octadecylicosanoic acid Traditional Name: 2-[[(2-carboxy-2-lauryl-tetradecyl)thio]methyl]-2-stearyl-arachidic acid Formula: C66H130O4S MolecularWeight: 1019.801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C66H130O4S/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-47-51-55-59-66(64(69)70,60-56-52-48-44-40-38-36-34-32-30-26-22-18-14-10-6-2)62-71-61-65(63(67)68,57-53-49-45-41-27-23-19-15-11-7-3)58-54-50-46-42-28-24-20-16-12-8-4/h5-62H2,1-4H3,(H,67,68)(H,69,70)