4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate

Systemtic Name: 4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate Openeye Name: 4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate CAS Name: 4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate IUPAC Name: 4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate Traditional Name: 4-(1-methyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl)benzenesulfinate Formula: C11H15BNO4S- MolecularWeight: 268.1171

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Descriptors Computed from Structure

Canonical SMILES:

[B-]12([N+](CCO1)(CCO2)C)C3=CC=C(C=C3)S(=O)[O-]

Isomeric SMILES

[B-]12([N+](CCO1)(CCO2)C)C3=CC=C(C=C3)S(=O)[O-]

InChI

InChI=1S/C11H16BNO4S/c1-13-6-8-16-12(13,17-9-7-13)10-2-4-11(5-3-10)18(14)15/h2-5H,6-9H2,1H3,(H,14,15)/p-1