2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: 2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl 2-methyl-5-nitro-benzenesulfonate Openeye Name: 2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid 2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl ester IUPAC Name: 2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid 2,3,4a,5-tetrahydro-1,4-benzodioxin-2-ylmethyl ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OCC2COC3CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OCC2COC3CC=CC=C3O2

InChI

InChI=1S/C16H17NO7S/c1-11-6-7-12(17(18)19)8-16(11)25(20,21)23-10-13-9-22-14-4-2-3-5-15(14)24-13/h2-3,5-8,13-14H,4,9-10H2,1H3