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

Systemtic Name: 4-[2-(2,4-dinitrophenyl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(2,4-dinitrophenyl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(2,4-dinitrophenyl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(2,4-dinitrophenyl)ethyl]benzenesulfonic acid Traditional Name: 4-[2-(2,4-dinitrophenyl)ethyl]besylic acid Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H12N2O7S/c17-15(18)12-6-5-11(14(9-12)16(19)20)4-1-10-2-7-13(8-3-10)24(21,22)23/h2-3,5-9H,1,4H2,(H,21,22,23)