(5-methanoyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-methanoyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-formyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-formyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (5-formyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-formyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C17H15NO8S MolecularWeight: 393.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C17H15NO8S/c1-11-2-4-13(5-3-11)27(22,23)25-10-12-9-24-16-7-6-15(18(20)21)14(8-19)17(16)26-12/h2-8,12H,9-10H2,1H3