1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; ethanoic acid

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; ethanoic acid Openeye Name: acetic acid; 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: acetic acid; 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: acetic acid; 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: acetic acid; 1,1-diketo-1,2-benzothiazol-3-one Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C7H5NO3S.C2H4O2/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-2(3)4/h1-4H,(H,8,9);1H3,(H,3,4)