cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid

Systemtic Name: cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid Openeye Name: cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid CAS Name: cyclohexanamine; [1-phosphono-2-(propylthio)ethyl]phosphonic acid IUPAC Name: cyclohexanamine; (1-phosphono-2-propylsulfanylethyl)phosphonic acid Traditional Name: cyclohexylamine; [1-phosphono-2-(propylthio)ethyl]phosphonic acid Formula: C11H27NO6P2S MolecularWeight: 363.347702

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(P(=O)(O)O)P(=O)(O)O.C1CCC(CC1)N

Isomeric SMILES

CCCSCC(P(=O)(O)O)P(=O)(O)O.C1CCC(CC1)N

InChI

InChI=1S/C6H13N.C5H14O6P2S/c7-6-4-2-1-3-5-6;1-2-3-14-4-5(12(6,7)8)13(9,10)11/h6H,1-5,7H2;5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)