1,3-benzodioxol-5-yl 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: 1,3-benzodioxol-5-yl 4-methoxy-3-nitro-benzenesulfonate Openeye Name: 1,3-benzodioxol-5-yl 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid 1,3-benzodioxol-5-yl ester Formula: C14H11NO8S MolecularWeight: 353.30404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO8S/c1-20-12-5-3-10(7-11(12)15(16)17)24(18,19)23-9-2-4-13-14(6-9)22-8-21-13/h2-7H,8H2,1H3