[2-[2-(2-azaniumylphenyl)ethyl]phenyl]azanium; phosphonato phosphate

Systemtic Name: [2-[2-(2-azaniumylphenyl)ethyl]phenyl]azanium; phosphonato phosphate Openeye Name: [2-[2-(2-azaniumylphenyl)ethyl]phenyl]ammonium; phosphonato phosphate CAS Name: [2-[2-(2-ammoniophenyl)ethyl]phenyl]ammonium; phosphonato phosphate IUPAC Name: [2-[2-(2-azaniumylphenyl)ethyl]phenyl]azanium; phosphonato phosphate Traditional Name: [2-[2-(2-ammoniophenyl)ethyl]phenyl]ammonium; phosphonato phosphate Formula: C28H36N4O7P2 MolecularWeight: 602.555562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC2=CC=CC=C2[NH3+])[NH3+].C1=CC=C(C(=C1)CCC2=CC=CC=C2[NH3+])[NH3+].[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CCC2=CC=CC=C2[NH3+])[NH3+].C1=CC=C(C(=C1)CCC2=CC=CC=C2[NH3+])[NH3+].[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/2C14H16N2.H4O7P2/c2*15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-8(2,3)7-9(4,5)6/h2*1-8H,9-10,15-16H2;(H2,1,2,3)(H2,4,5,6)