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

Systemtic Name: (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-allyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-allyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-3-4-16-17(20(21)22)9-10-18-19(16)27-14(11-25-18)12-26-28(23,24)15-7-5-13(2)6-8-15/h3,5-10,14H,1,4,11-12H2,2H3