3-decoxyhexan-2-ylcyclohexane; 2-oxidanyl-2-phosphoroso-3-(1-sulfanylpropoxy)propanoic acid

Systemtic Name: 3-decoxyhexan-2-ylcyclohexane; 2-oxidanyl-2-phosphoroso-3-(1-sulfanylpropoxy)propanoic acid Openeye Name: (2-decoxy-1-methyl-pentyl)cyclohexane; 2-hydroxy-2-phosphoroso-3-(1-sulfanylpropoxy)propanoic acid CAS Name: 3-decoxyhexan-2-ylcyclohexane; 2-hydroxy-3-(1-mercaptopropoxy)-2-phosphorosopropanoic acid IUPAC Name: 3-decoxyhexan-2-ylcyclohexane; 2-hydroxy-2-phosphoroso-3-(1-sulfanylpropoxy)propanoic acid Traditional Name: (2-decoxy-1-methyl-pentyl)cyclohexane; 2-hydroxy-3-(1-mercaptopropoxy)-2-phosphoroso-propionic acid Formula: C28H55O6PS MolecularWeight: 550.771461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(CCC)C(C)C1CCCCC1.CCC(OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCCOC(CCC)C(C)C1CCCCC1.CCC(OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C22H44O.C6H11O5PS/c1-4-6-7-8-9-10-11-15-19-23-22(16-5-2)20(3)21-17-13-12-14-18-21;1-2-4(13)11-3-6(9,12-10)5(7)8/h20-22H,4-19H2,1-3H3;4,9,13H,2-3H2,1H3,(H,7,8)