[2-(phenylcarbonyl)phenyl]azanium borate

Systemtic Name: [2-(phenylcarbonyl)phenyl]azanium borate Openeye Name: (2-benzoylphenyl)ammonium borate CAS Name: (2-benzoylphenyl)ammonium borate IUPAC Name: (2-benzoylphenyl)azanium borate Traditional Name: (2-benzoylphenyl)ammonium borate Formula: C39H36BN3O6 MolecularWeight: 653.53064

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+]

Isomeric SMILES

B([O-])([O-])[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[NH3+]

InChI

InChI=1S/3C13H11NO.BO3/c3*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;2-1(3)4/h3*1-9H,14H2;/q;;;-3/p+3