3-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]-2-furoic acid Formula: C13H9NO6S MolecularWeight: 307.27866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=C(OC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=C(OC=C3)C(=O)O

InChI

InChI=1S/C13H9NO6S/c15-12-9-3-1-2-4-10(9)21(18,19)14(12)7-8-5-6-20-11(8)13(16)17/h1-6H,7H2,(H,16,17)