[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl hexanoate

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl hexanoate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl hexanoate CAS Name: hexanoic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl hexanoate Traditional Name: hexanoic acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C14H17NO5S/c1-2-3-4-9-13(16)20-10-15-14(17)11-7-5-6-8-12(11)21(15,18)19/h5-8H,2-4,9-10H2,1H3