N-(2,2-diphosphonatoethyl)-4-methyl-aniline

Systemtic Name: N-(2,2-diphosphonatoethyl)-4-methyl-aniline Openeye Name: N-(2,2-diphosphonatoethyl)-4-methyl-aniline CAS Name: N-(2,2-diphosphonatoethyl)-4-methylaniline IUPAC Name: N-(2,2-diphosphonatoethyl)-4-methylaniline Traditional Name: 2,2-diphosphonatoethyl(p-tolyl)amine Formula: C9H11NO6P2-4 MolecularWeight: 291.134262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NCC(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C9H15NO6P2/c1-7-2-4-8(5-3-7)10-6-9(17(11,12)13)18(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)/p-4