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

Systemtic Name: pentasodium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: pentasodium 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: pentasodium 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: pentasodium 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: pentasodium 1,1-diketo-1,2-benzothiazol-3-one Formula: C84H60N12Na5O36S12+5 MolecularWeight: 2313.16285

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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.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+]

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.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+]

InChI

InChI=1S/12C7H5NO3S.5Na/c12*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;/h12*1-4H,(H,8,9);;;;;/q;;;;;;;;;;;;5*+1