1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate azide

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate azide Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate azide CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate azide IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate azide Traditional Name: 1,1-diketo-1,2-benzothiazol-3-olate azide Formula: C21H12N6O9S3-4 MolecularWeight: 588.54978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[N-]=[N+]=[N-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[N-]=[N+]=[N-]

InChI

InChI=1S/3C7H5NO3S.N3/c3*9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-3-2/h3*1-4H,(H,8,9);/q;;;-1/p-3