1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonato-ethane-1,1-diamine

Systemtic Name: 1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonato-ethane-1,1-diamine Openeye Name: 1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonato-ethane-1,1-diamine CAS Name: 1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonatoethane-1,1-diamine IUPAC Name: 1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonatoethane-1,1-diamine Traditional Name: [1-amino-1-[3-methyl-2,4,5-tris(phosphonatomethyl)phenyl]-2-phosphonato-ethyl]amine Formula: C12H16N2O12P4-8 MolecularWeight: 504.156684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1CP(=O)([O-])[O-])C(CP(=O)([O-])[O-])(N)N)CP(=O)([O-])[O-])CP(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1CP(=O)([O-])[O-])C(CP(=O)([O-])[O-])(N)N)CP(=O)([O-])[O-])CP(=O)([O-])[O-]

InChI

InChI=1S/C12H24N2O12P4/c1-7-9(4-28(18,19)20)8(3-27(15,16)17)2-11(10(7)5-29(21,22)23)12(13,14)6-30(24,25)26/h2H,3-6,13-14H2,1H3,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/p-8