methyl 1,3-benzodithiol-3-ium-4-carboxylate tetrafluoroborate

Systemtic Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate tetrafluoroborate Openeye Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate tetrafluoroborate CAS Name: 1,3-benzodithiol-3-ium-4-carboxylic acid methyl ester tetrafluoroborate IUPAC Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate tetrafluoroborate Traditional Name: 1,3-benzodithiol-3-ium-4-carboxylic acid methyl ester tetrafluoroborate Formula: C9H7BF4O2S2 MolecularWeight: 298.085293

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC(=O)C1=C2C(=CC=C1)SC=[S+]2

Isomeric SMILES

[B-](F)(F)(F)F.COC(=O)C1=C2C(=CC=C1)SC=[S+]2

InChI

InChI=1S/C9H7O2S2.BF4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7;2-1(3,4)5/h2-5H,1H3;/q+1;-1