(phenylmethyl)azanium tetrahydroxide

Systemtic Name: (phenylmethyl)azanium tetrahydroxide Openeye Name: benzylammonium tetrahydroxide CAS Name: (phenylmethyl)ammonium tetrahydroxide IUPAC Name: benzylazanium tetrahydroxide Traditional Name: benzylammonium tetrahydroxide Formula: C28H44N4O4 MolecularWeight: 500.67336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].[OH-].[OH-].[OH-].[OH-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C[NH3+].[OH-].[OH-].[OH-].[OH-]

InChI

InChI=1S/4C7H9N.4H2O/c4*8-6-7-4-2-1-3-5-7;;;;/h4*1-5H,6,8H2;4*1H2