[2-(hydroxymethyl)-5-methyl-oxolan-3-yl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate

Systemtic Name: [2-(hydroxymethyl)-5-methyl-oxolan-3-yl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate Openeye Name: [2-(hydroxymethyl)-5-methyl-tetrahydrofuran-3-yl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate CAS Name: carbonic acid [2-(hydroxymethyl)-5-methyl-3-oxolanyl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: [2-(hydroxymethyl)-5-methyloxolan-3-yl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate Traditional Name: carbonic acid (5-methyl-2-methylol-tetrahydrofuran-3-yl) 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester Formula: C16H19NO9 MolecularWeight: 369.32336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)CO)OC(=O)OC(C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1CC(C(O1)CO)OC(=O)OC(C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H19NO9/c1-8-3-14(15(6-18)24-8)26-16(19)25-9(2)10-4-12-13(23-7-22-12)5-11(10)17(20)21/h4-5,8-9,14-15,18H,3,6-7H2,1-2H3