methyl 4-methyl-2-[6-nitro-5-(2-oxidanylideneethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonate

Systemtic Name: methyl 4-methyl-2-[6-nitro-5-(2-oxidanylideneethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonate Openeye Name: methyl 4-methyl-2-[6-nitro-5-(2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonate CAS Name: 4-methyl-2-[6-nitro-5-(2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonic acid methyl ester IUPAC Name: methyl 4-methyl-2-[6-nitro-5-(2-oxoethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzenesulfonate Traditional Name: 2-[5-(2-ketoethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-benzenesulfonic acid methyl ester Formula: C18H17NO8S MolecularWeight: 407.39448

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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=O

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO8S/c1-11-3-6-17(28(23,24)25-2)13(9-11)16-10-26-15-5-4-14(19(21)22)12(7-8-20)18(15)27-16/h3-6,8-9,16H,7,10H2,1-2H3