[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 4-methylbenzenesulfonate Openeye Name: [(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] ester IUPAC Name: [(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-6,7-dihydro-5H-benzofurazan-4-ylideneamino] ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=NON=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C\2/CCCC3=NON=C32

InChI

InChI=1S/C13H13N3O4S/c1-9-5-7-10(8-6-9)21(17,18)20-15-12-4-2-3-11-13(12)16-19-14-11/h5-8H,2-4H2,1H3/b15-12-