phenyl 4-methoxy-3,5-dinitro-benzenesulfonate

Systemtic Name: phenyl 4-methoxy-3,5-dinitro-benzenesulfonate Openeye Name: phenyl 4-methoxy-3,5-dinitro-benzenesulfonate CAS Name: 4-methoxy-3,5-dinitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methoxy-3,5-dinitrobenzenesulfonate Traditional Name: 4-methoxy-3,5-dinitro-benzenesulfonic acid phenyl ester Formula: C13H10N2O8S MolecularWeight: 354.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O8S/c1-22-13-11(14(16)17)7-10(8-12(13)15(18)19)24(20,21)23-9-5-3-2-4-6-9/h2-8H,1H3