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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C(=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C(=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C19H19NO7S/c1-4-5-13-15(20(21)22)7-8-16-19(13)27-17(11-26-16)14-10-12(2)6-9-18(14)28(23,24)25-3/h4,6-10,17H,1,5,11H2,2-3H3