[2-(hydroxymethyl)-2-nitro-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-2-nitro-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-nitro-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(hydroxymethyl)-2-nitropropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-nitropropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-2-methylol-2-nitro-propyl) ester Formula: C11H15NO7S MolecularWeight: 305.3043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)(CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)(CO)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO7S/c1-9-2-4-10(5-3-9)20(17,18)19-8-11(6-13,7-14)12(15)16/h2-5,13-14H,6-8H2,1H3