2-octadecyl-1-(2-octadecyl-1-sulfanyl-cyclobutyl)carbothioyloxy-cyclobutane-1-carbothioic S-acid

Systemtic Name: 2-octadecyl-1-(2-octadecyl-1-sulfanyl-cyclobutyl)carbothioyloxy-cyclobutane-1-carbothioic S-acid Openeye Name: 2-octadecyl-1-(2-octadecyl-1-sulfanyl-cyclobutanecarbothioyl)oxy-cyclobutanecarbothioic S-acid CAS Name: 1-[(1-mercapto-2-octadecylcyclobutyl)-sulfanylidenemethoxy]-2-octadecyl-1-cyclobutanecarbothioic S-acid IUPAC Name: 2-octadecyl-1-(2-octadecyl-1-sulfanylcyclobutanecarbothioyl)oxycyclobutane-1-carbothioic S-acid Traditional Name: 1-(1-mercapto-2-stearyl-cyclobutanecarbothioyl)oxy-2-stearyl-cyclobutanecarbothioic S-acid Formula: C46H86O2S3 MolecularWeight: 767.36884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CCC1(C(=O)S)OC(=S)C2(CCC2CCCCCCCCCCCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CCC1(C(=O)S)OC(=S)C2(CCC2CCCCCCCCCCCCCCCCCC)S

InChI

InChI=1S/C46H86O2S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-37-39-45(41,43(47)49)48-44(50)46(51)40-38-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42,51H,3-40H2,1-2H3,(H,47,49)