2-(1-octylcyclohexyl)-2-[2-(1-octylcyclohexyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-(1-octylcyclohexyl)-2-[2-(1-octylcyclohexyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-[2-hydroxy-1-methyl-1-(1-octylcyclohexyl)-2-oxo-ethyl]sulfanyl-2-(1-octylcyclohexyl)propanoic acid CAS Name: 2-[[1-hydroxy-2-(1-octylcyclohexyl)-1-oxopropan-2-yl]thio]-2-(1-octylcyclohexyl)propanoic acid IUPAC Name: 2-[1-hydroxy-2-(1-octylcyclohexyl)-1-oxopropan-2-yl]sulfanyl-2-(1-octylcyclohexyl)propanoic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-methyl-1-(1-octylcyclohexyl)ethyl]thio]-2-(1-octylcyclohexyl)propionic acid Formula: C34H62O4S MolecularWeight: 566.91868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCCCC1)C(C)(C(=O)O)SC(C)(C(=O)O)C2(CCCCC2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(CCCCC1)C(C)(C(=O)O)SC(C)(C(=O)O)C2(CCCCC2)CCCCCCCC

InChI

InChI=1S/C34H62O4S/c1-5-7-9-11-13-17-23-33(25-19-15-20-26-33)31(3,29(35)36)39-32(4,30(37)38)34(27-21-16-22-28-34)24-18-14-12-10-8-6-2/h5-28H2,1-4H3,(H,35,36)(H,37,38)