[bis(2,6-dimethylphenyl)amino]phosphonic acid; piperazine

Systemtic Name: [bis(2,6-dimethylphenyl)amino]phosphonic acid; piperazine Openeye Name: (N-(2,6-dimethylphenyl)-2,6-dimethyl-anilino)phosphonic acid; piperazine CAS Name: (N-(2,6-dimethylphenyl)-2,6-dimethylanilino)phosphonic acid; piperazine IUPAC Name: (N-(2,6-dimethylphenyl)-2,6-dimethylanilino)phosphonic acid; piperazine Traditional Name: (N-(2,6-dimethylphenyl)-2,6-dimethyl-anilino)phosphonic acid; piperazine Formula: C36H50N4O6P2 MolecularWeight: 696.752922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C2=C(C=CC=C2C)C)P(=O)(O)O.CC1=C(C(=CC=C1)C)N(C2=C(C=CC=C2C)C)P(=O)(O)O.C1CNCCN1

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C2=C(C=CC=C2C)C)P(=O)(O)O.CC1=C(C(=CC=C1)C)N(C2=C(C=CC=C2C)C)P(=O)(O)O.C1CNCCN1

InChI

InChI=1S/2C16H20NO3P.C4H10N2/c2*1-11-7-5-8-12(2)15(11)17(21(18,19)20)16-13(3)9-6-10-14(16)4;1-2-6-4-3-5-1/h2*5-10H,1-4H3,(H2,18,19,20);5-6H,1-4H2