3-[(2,5-dinitrophenyl)methyl]-4-methyl-benzenesulfonate

Systemtic Name: 3-[(2,5-dinitrophenyl)methyl]-4-methyl-benzenesulfonate Openeye Name: 3-[(2,5-dinitrophenyl)methyl]-4-methyl-benzenesulfonate CAS Name: 3-[(2,5-dinitrophenyl)methyl]-4-methylbenzenesulfonate IUPAC Name: 3-[(2,5-dinitrophenyl)methyl]-4-methylbenzenesulfonate Traditional Name: 3-(2,5-dinitrobenzyl)-4-methyl-besylate Formula: C14H11N2O7S- MolecularWeight: 351.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c1-9-2-4-13(24(21,22)23)8-10(9)6-11-7-12(15(17)18)3-5-14(11)16(19)20/h2-5,7-8H,6H2,1H3,(H,21,22,23)/p-1