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

Systemtic Name: 3-decoxyhexan-2-ylcyclohexane; 2-oxidanyl-2-phosphoroso-2-(1-sulfanylpropoxy)ethanoic acid Openeye Name: (2-decoxy-1-methyl-pentyl)cyclohexane; 2-hydroxy-2-phosphoroso-2-(1-sulfanylpropoxy)acetic acid CAS Name: 3-decoxyhexan-2-ylcyclohexane; 2-hydroxy-2-(1-mercaptopropoxy)-2-phosphorosoacetic acid IUPAC Name: 3-decoxyhexan-2-ylcyclohexane; 2-hydroxy-2-phosphoroso-2-(1-sulfanylpropoxy)acetic acid Traditional Name: (2-decoxy-1-methyl-pentyl)cyclohexane; 2-hydroxy-2-(1-mercaptopropoxy)-2-phosphoroso-acetic acid Formula: C27H53O6PS MolecularWeight: 536.744881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44O.C5H9O5PS/c1-4-6-7-8-9-10-11-15-19-23-22(16-5-2)20(3)21-17-13-12-14-18-21;1-2-3(12)10-5(8,11-9)4(6)7/h20-22H,4-19H2,1-3H3;3,8,12H,2H2,1H3,(H,6,7)