5,6-bis(bromanyl)-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene; (phenylmethyl)azanium

Systemtic Name: 5,6-bis(bromanyl)-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene; (phenylmethyl)azanium Openeye Name: benzylammonium; 5,6-dibromo-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene CAS Name: 5,6-dibromo-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 5,6-dibromo-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene Traditional Name: benzylammonium; 5,6-dibromo-2,2-diphenyl-1,3-dioxa-2-boranuidacyclohept-5-ene Formula: C23H24BBr2NO2 MolecularWeight: 517.06116

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(OCC(=C(CO1)Br)Br)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

[B-]1(OCC(=C(CO1)Br)Br)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C16H14BBr2O2.C7H9N/c18-15-11-20-17(21-12-16(15)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14;8-6-7-4-2-1-3-5-7/h1-10H,11-12H2;1-5H,6,8H2/q-1;/p+1