(NE)-N-phenethylidenehydroxylamine; pyridin-3-yl 4-methylbenzenesulfonate

Systemtic Name: (NE)-N-phenethylidenehydroxylamine; pyridin-3-yl 4-methylbenzenesulfonate Openeye Name: (1E)-2-phenylacetaldehyde oxime; 3-pyridyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-pyridinyl ester; (1E)-2-phenylacetaldehyde oxime IUPAC Name: (NE)-N-phenethylidenehydroxylamine; pyridin-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-pyridyl ester; (1E)-2-phenylacetaldoxime Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC=C2.C1=CC=C(C=C1)CC=NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC=C2.C1=CC=C(C=C1)C/C=N/O

InChI

InChI=1S/C12H11NO3S.C8H9NO/c1-10-4-6-12(7-5-10)17(14,15)16-11-3-2-8-13-9-11;10-9-7-6-8-4-2-1-3-5-8/h2-9H,1H3;1-5,7,10H,6H2/b;9-7+