[5-(4-chloranylphenoxy)-2-methyl-1-oxidanyl-1-phosphono-pentyl]phosphonic acid; methanamine

Systemtic Name: [5-(4-chloranylphenoxy)-2-methyl-1-oxidanyl-1-phosphono-pentyl]phosphonic acid; methanamine Openeye Name: [5-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphono-pentyl]phosphonic acid; methanamine CAS Name: [5-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphonopentyl]phosphonic acid; methanamine IUPAC Name: [5-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphonopentyl]phosphonic acid; methanamine Traditional Name: [5-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphono-pentyl]phosphonic acid; methylamine Formula: C13H24ClNO8P2 MolecularWeight: 419.732082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=CC=C(C=C1)Cl)C(O)(P(=O)(O)O)P(=O)(O)O.CN

Isomeric SMILES

CC(CCCOC1=CC=C(C=C1)Cl)C(O)(P(=O)(O)O)P(=O)(O)O.CN

InChI

InChI=1S/C12H19ClO8P2.CH5N/c1-9(12(14,22(15,16)17)23(18,19)20)3-2-8-21-11-6-4-10(13)5-7-11;1-2/h4-7,9,14H,2-3,8H2,1H3,(H2,15,16,17)(H2,18,19,20);2H2,1H3