[2-(nitrooxymethyl)phenyl]methyl N-[4-(hydroxymethyl)phenyl]sulfonylcarbamate

Systemtic Name: [2-(nitrooxymethyl)phenyl]methyl N-[4-(hydroxymethyl)phenyl]sulfonylcarbamate Openeye Name: [2-(nitrooxymethyl)phenyl]methyl N-[4-(hydroxymethyl)phenyl]sulfonylcarbamate CAS Name: N-[4-(hydroxymethyl)phenyl]sulfonylcarbamic acid [2-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [2-(nitrooxymethyl)phenyl]methyl N-[4-(hydroxymethyl)phenyl]sulfonylcarbamate Traditional Name: N-(4-methylolphenyl)sulfonylcarbamic acid [2-(nitrooxymethyl)benzyl] ester Formula: C16H16N2O8S MolecularWeight: 396.37184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)NS(=O)(=O)C2=CC=C(C=C2)CO)CO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)NS(=O)(=O)C2=CC=C(C=C2)CO)CO[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O8S/c19-9-12-5-7-15(8-6-12)27(23,24)17-16(20)25-10-13-3-1-2-4-14(13)11-26-18(21)22/h1-8,19H,9-11H2,(H,17,20)