2-cyclohexyl-2-(2-cyclohexyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoic acid

Systemtic Name: 2-cyclohexyl-2-(2-cyclohexyl-1-oxidanyl-1-oxidanylidene-octadecan-2-yl)sulfanyl-octadecanoic acid Openeye Name: 2-(1-carboxy-1-cyclohexyl-heptadecyl)sulfanyl-2-cyclohexyl-octadecanoic acid CAS Name: 2-cyclohexyl-2-[(2-cyclohexyl-1-hydroxy-1-oxooctadecan-2-yl)thio]octadecanoic acid IUPAC Name: 2-cyclohexyl-2-(2-cyclohexyl-1-hydroxy-1-oxooctadecan-2-yl)sulfanyloctadecanoic acid Traditional Name: 2-[(1-carboxy-1-cyclohexyl-heptadecyl)thio]-2-cyclohexyl-stearic acid Formula: C48H90O4S MolecularWeight: 763.2908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1CCCCC1)(C(=O)O)SC(CCCCCCCCCCCCCCCC)(C2CCCCC2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1CCCCC1)(C(=O)O)SC(CCCCCCCCCCCCCCCC)(C2CCCCC2)C(=O)O

InChI

InChI=1S/C48H90O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-41-47(45(49)50,43-37-31-29-32-38-43)53-48(46(51)52,44-39-33-30-34-40-44)42-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-42H2,1-2H3,(H,49,50)(H,51,52)