[2-(aminomethyl)phenyl]methanamine; phosphonomethylphosphonic acid

Systemtic Name: [2-(aminomethyl)phenyl]methanamine; phosphonomethylphosphonic acid Openeye Name: [2-(aminomethyl)phenyl]methanamine; phosphonomethylphosphonic acid CAS Name: [2-(aminomethyl)phenyl]methanamine; phosphonomethylphosphonic acid IUPAC Name: [2-(aminomethyl)phenyl]methanamine; phosphonomethylphosphonic acid Traditional Name: [2-(aminomethyl)benzyl]amine; phosphonomethylphosphonic acid Formula: C12H36N2O24P8 MolecularWeight: 840.203328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2.4CH6O6P2/c9-5-7-3-1-2-4-8(7)6-10;4*2-8(3,4)1-9(5,6)7/h1-4H,5-6,9-10H2;4*1H2,(H2,2,3,4)(H2,5,6,7)