(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-11-5-7-13(8-6-11)25(20,21)23-10-12-9-22-15-4-2-3-14(17(18)19)16(15)24-12/h2-8,12H,9-10H2,1H3