2-(4-bromanylbutyl)-3-oxidanylidene-1,2-benzothiazole-4,5-diolate

Systemtic Name: 2-(4-bromanylbutyl)-3-oxidanylidene-1,2-benzothiazole-4,5-diolate Openeye Name: 2-(4-bromobutyl)-3-oxo-1,2-benzothiazole-4,5-diolate CAS Name: 2-(4-bromobutyl)-3-oxo-1,2-benzothiazole-4,5-diolate IUPAC Name: 2-(4-bromobutyl)-3-oxo-1,2-benzothiazole-4,5-diolate Traditional Name: 2-(4-bromobutyl)-3-keto-1,2-benzothiazole-4,5-diolate Formula: C11H10BrNO3S-2 MolecularWeight: 316.171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1[O-])[O-])C(=O)N(S2)CCCCBr

Isomeric SMILES

C1=CC2=C(C(=C1[O-])[O-])C(=O)N(S2)CCCCBr

InChI

InChI=1S/C11H12BrNO3S/c12-5-1-2-6-13-11(16)9-8(17-13)4-3-7(14)10(9)15/h3-4,14-15H,1-2,5-6H2/p-2