3-phenoxypropan-1-amine; phosphonomethylphosphonic acid

Systemtic Name: 3-phenoxypropan-1-amine; phosphonomethylphosphonic acid Openeye Name: 3-phenoxypropan-1-amine; phosphonomethylphosphonic acid CAS Name: 3-phenoxy-1-propanamine; phosphonomethylphosphonic acid IUPAC Name: 3-phenoxypropan-1-amine; phosphonomethylphosphonic acid Traditional Name: 3-phenoxypropylamine; phosphonomethylphosphonic acid Formula: C10H19NO7P2 MolecularWeight: 327.207882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCN.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H13NO.CH6O6P2/c10-7-4-8-11-9-5-2-1-3-6-9;2-8(3,4)1-9(5,6)7/h1-3,5-6H,4,7-8,10H2;1H2,(H2,2,3,4)(H2,5,6,7)