4-[(2,4-dinitrophenyl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonic acid Openeye Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonic acid CAS Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonic acid Traditional Name: 4-(2,4-dinitrobenzyl)besylic acid Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H10N2O7S/c16-14(17)11-4-3-10(13(8-11)15(18)19)7-9-1-5-12(6-2-9)23(20,21)22/h1-6,8H,7H2,(H,20,21,22)