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

Systemtic Name: 2-(1-butylcyclohexyl)-2-[2-(1-butylcyclohexyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-(1-butylcyclohexyl)-2-[1-(1-butylcyclohexyl)-2-hydroxy-1-methyl-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-(1-butylcyclohexyl)-2-[[2-(1-butylcyclohexyl)-1-hydroxy-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-(1-butylcyclohexyl)-2-[2-(1-butylcyclohexyl)-1-hydroxy-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-(1-butylcyclohexyl)-2-[[1-(1-butylcyclohexyl)-2-hydroxy-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C26H46O4S MolecularWeight: 454.70604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCC1)C(C)(C(=O)O)SC(C)(C(=O)O)C2(CCCCC2)CCCC

Isomeric SMILES

CCCCC1(CCCCC1)C(C)(C(=O)O)SC(C)(C(=O)O)C2(CCCCC2)CCCC

InChI

InChI=1S/C26H46O4S/c1-5-7-15-25(17-11-9-12-18-25)23(3,21(27)28)31-24(4,22(29)30)26(16-8-6-2)19-13-10-14-20-26/h5-20H2,1-4H3,(H,27,28)(H,29,30)