cyclohepta-1,3,5-triene dodecaborate

Systemtic Name: cyclohepta-1,3,5-triene dodecaborate Openeye Name: cyclohepta-1,3,5-triene dodecaborate CAS Name: cyclohepta-1,3,5-triene dodecaborate IUPAC Name: cyclohepta-1,3,5-triene dodecaborate Traditional Name: cyclohepta-1,3,5-triene dodecaborate Formula: C7H7B12O36-35 MolecularWeight: 796.84088

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].C1C=CC=CC=[C+]1

Isomeric SMILES

B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].C1C=CC=CC=[C+]1

InChI

InChI=1S/C7H7.12BO3/c1-2-4-6-7-5-3-1;12*2-1(3)4/h1-5H,6H2;;;;;;;;;;;;/q+1;12*-3