(2,6-dinitrophenyl)methyl 4-methoxybenzenesulfonate

Systemtic Name: (2,6-dinitrophenyl)methyl 4-methoxybenzenesulfonate Openeye Name: (2,6-dinitrophenyl)methyl 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (2,6-dinitrobenzyl) ester Formula: C14H12N2O8S MolecularWeight: 368.31868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O8S/c1-23-10-5-7-11(8-6-10)25(21,22)24-9-12-13(15(17)18)3-2-4-14(12)16(19)20/h2-8H,9H2,1H3