2-(5-bromanylpentyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(5-bromanylpentyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(5-bromopentyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(5-bromopentyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(5-bromopentyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(5-bromopentyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCBr

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCBr

InChI

InChI=1S/C12H14BrNO3S/c13-8-4-1-5-9-14-12(15)10-6-2-3-7-11(10)18(14,16)17/h2-3,6-7H,1,4-5,8-9H2