acridin-10-ium; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate

Systemtic Name: acridin-10-ium; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate Openeye Name: acridin-10-ium; 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: acridin-10-ium; 1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: acridin-10-ium; 1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: acridin-10-ium; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C40H28N4O6S2 MolecularWeight: 724.80352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=[NH+]2.C1=CC=C2C(=C1)C=C3C=CC=CC3=[NH+]2.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=[NH+]2.C1=CC=C2C(=C1)C=C3C=CC=CC3=[NH+]2.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/2C13H9N.2C7H5NO3S/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*9-7-5-3-1-2-4-6(5)12(10,11)8-7/h2*1-9H;2*1-4H,(H,8,9)