2-methyl-2-octadecyl-icosanethioic S-acid

Systemtic Name: 2-methyl-2-octadecyl-icosanethioic S-acid Openeye Name: 2-methyl-2-octadecyl-icosanethioic S-acid CAS Name: 2-methyl-2-octadecyleicosanethioic S-acid IUPAC Name: 2-methyl-2-octadecylicosanethioic S-acid Traditional Name: 2-methyl-2-stearyl-thioarachidic acid Formula: C39H78OS MolecularWeight: 595.10102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)C(=O)S

InChI

InChI=1S/C39H78OS/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(3,38(40)41)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3,(H,40,41)