(NZ)-N-(7-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine; 4-methylbenzenesulfonate

Systemtic Name: (NZ)-N-(7-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine; 4-methylbenzenesulfonate Openeye Name: 7-methoxy-2,2-dimethyl-chroman-4-one oxime; 4-methylbenzenesulfonate CAS Name: 7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one oxime; 4-methylbenzenesulfonate IUPAC Name: (NZ)-N-(7-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine; 4-methylbenzenesulfonate Traditional Name: 7-methoxy-2,2-dimethyl-chroman-4-one oxime tosylate Formula: C19H22NO6S- MolecularWeight: 392.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=NO)C2=C(O1)C=C(C=C2)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C/C(=N/O)/C2=C(O1)C=C(C=C2)OC)C

InChI

InChI=1S/C12H15NO3.C7H8O3S/c1-12(2)7-10(13-14)9-5-4-8(15-3)6-11(9)16-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,14H,7H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1/b13-10-;