disodium [1-[(4-chlorophenyl)amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: disodium [1-[(4-chlorophenyl)amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: disodium [1-(4-chloroanilino)-1-phosphono-ethyl]phosphonic acid CAS Name: disodium [1-(4-chloroanilino)-1-phosphonoethyl]phosphonic acid IUPAC Name: disodium [1-(4-chloroanilino)-1-phosphonoethyl]phosphonic acid Traditional Name: disodium [1-(4-chloroanilino)-1-phosphono-ethyl]phosphonic acid Formula: C8H12ClNNa2O6P2+2 MolecularWeight: 361.564042

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O.[Na+].[Na+]

Isomeric SMILES

CC(NC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O.[Na+].[Na+]

InChI

InChI=1S/C8H12ClNO6P2.2Na/c1-8(17(11,12)13,18(14,15)16)10-7-4-2-6(9)3-5-7;;/h2-5,10H,1H3,(H2,11,12,13)(H2,14,15,16);;/q;2*+1