pyridin-4-ylmethyl ethanoate; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: pyridin-4-ylmethyl ethanoate; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: 4-pyridylmethyl acetate; trihydroxy(oxo)-$l^{5}-chlorane CAS Name: acetic acid pyridin-4-ylmethyl ester; trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: pyridin-4-ylmethyl acetate; trihydroxy(oxo)-$l^{5}-chlorane Traditional Name: acetic acid 4-pyridylmethyl ester; trihydroxy(keto)-$l^{5}-chlorane Formula: C8H12ClNO6 MolecularWeight: 253.63698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=NC=C1.OCl(=O)(O)O

Isomeric SMILES

CC(=O)OCC1=CC=NC=C1.OCl(=O)(O)O

InChI

InChI=1S/C8H9NO2.ClH3O4/c1-7(10)11-6-8-2-4-9-5-3-8;2-1(3,4)5/h2-5H,6H2,1H3;(H3,2,3,4,5)