(2-methylphenyl)methanediamine; 4-phosphonobutylphosphonic acid

Systemtic Name: (2-methylphenyl)methanediamine; 4-phosphonobutylphosphonic acid Openeye Name: o-tolylmethanediamine; 4-phosphonobutylphosphonic acid CAS Name: (2-methylphenyl)methanediamine; 4-phosphonobutylphosphonic acid IUPAC Name: (2-methylphenyl)methanediamine; 4-phosphonobutylphosphonic acid Traditional Name: [amino(o-tolyl)methyl]amine; 4-phosphonobutylphosphonic acid Formula: C12H24N2O6P2 MolecularWeight: 354.276282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(N)N.C(CCP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1C(N)N.C(CCP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C8H12N2.C4H12O6P2/c1-6-4-2-3-5-7(6)8(9)10;5-11(6,7)3-1-2-4-12(8,9)10/h2-5,8H,9-10H2,1H3;1-4H2,(H2,5,6,7)(H2,8,9,10)