5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoic acid

Systemtic Name: 5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoic acid Openeye Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid CAS Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid IUPAC Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid Traditional Name: 5-(1,1,3-triketo-1,2-benzothiazol-2-yl)valeric acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c14-11(15)7-3-4-8-13-12(16)9-5-1-2-6-10(9)19(13,17)18/h1-2,5-6H,3-4,7-8H2,(H,14,15)