phenyl 2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)ethanesulfonate CAS Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)ethanesulfonate Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)ethanesulfonic acid phenyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H13N3O4S/c19-15-13-8-4-5-9-14(13)16-17-18(15)10-11-23(20,21)22-12-6-2-1-3-7-12/h1-9H,10-11H2