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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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