(3-azanyl-2,5-dimethyl-6-phosphono-phenyl)phosphonic acid

Systemtic Name: (3-azanyl-2,5-dimethyl-6-phosphono-phenyl)phosphonic acid Openeye Name: (3-amino-2,5-dimethyl-6-phosphono-phenyl)phosphonic acid CAS Name: (3-amino-2,5-dimethyl-6-phosphonophenyl)phosphonic acid IUPAC Name: (3-amino-2,5-dimethyl-6-phosphonophenyl)phosphonic acid Traditional Name: (3-amino-2,5-dimethyl-6-phosphono-phenyl)phosphonic acid Formula: C8H13NO6P2 MolecularWeight: 281.139442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1P(=O)(O)O)P(=O)(O)O)C)N

Isomeric SMILES

CC1=CC(=C(C(=C1P(=O)(O)O)P(=O)(O)O)C)N

InChI

InChI=1S/C8H13NO6P2/c1-4-3-6(9)5(2)8(17(13,14)15)7(4)16(10,11)12/h3H,9H2,1-2H3,(H2,10,11,12)(H2,13,14,15)