(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H12ClN3O5S/c1-26(23,24)10-6-7-13(17)12(8-10)16(22)25-9-20-15(21)11-4-2-3-5-14(11)18-19-20/h2-8H,9H2,1H3