potassium [5-acetamido-6-(4-nitrophenoxy)-3,4-bis(oxidanyl)oxan-2-yl]methyl sulfate

Systemtic Name: potassium [5-acetamido-6-(4-nitrophenoxy)-3,4-bis(oxidanyl)oxan-2-yl]methyl sulfate Openeye Name: potassium [5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl sulfate CAS Name: potassium [5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)-2-oxanyl]methyl sulfate IUPAC Name: potassium [5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl sulfate Traditional Name: potassium [5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl sulfate Formula: C14H17KN2O11S MolecularWeight: 460.45488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C14H18N2O11S.K/c1-7(17)15-11-13(19)12(18)10(6-25-28(22,23)24)27-14(11)26-9-4-2-8(3-5-9)16(20)21;/h2-5,10-14,18-19H,6H2,1H3,(H,15,17)(H,22,23,24);/q;+1/p-1