heptasodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: heptasodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: heptasodium 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: heptasodium 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: heptasodium 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: heptasodium 1,1-diketo-1,2-benzothiazol-3-one Formula: C56H40N8Na7O24S8+7 MolecularWeight: 1626.40439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/8C7H5NO3S.7Na/c8*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;;;/h8*1-4H,(H,8,9);;;;;;;/q;;;;;;;;7*+1