4-oxidanylidene-3-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl]phthalazine-1-carboxylate Formula: C18H12N3O6S- MolecularWeight: 398.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c22-16-12-6-2-1-5-11(12)15(18(24)25)19-20(16)9-10-21-17(23)13-7-3-4-8-14(13)28(21,26)27/h1-8H,9-10H2,(H,24,25)/p-1