4-nitro-2-[2-(5-nitro-2-sulfo-phenyl)ethyl]benzenesulfonic acid

Systemtic Name: 4-nitro-2-[2-(5-nitro-2-sulfo-phenyl)ethyl]benzenesulfonic acid Openeye Name: 4-nitro-2-[2-(5-nitro-2-sulfo-phenyl)ethyl]benzenesulfonic acid CAS Name: 4-nitro-2-[2-(5-nitro-2-sulfophenyl)ethyl]benzenesulfonic acid IUPAC Name: 4-nitro-2-[2-(5-nitro-2-sulfophenyl)ethyl]benzenesulfonic acid Traditional Name: 4-nitro-2-[2-(5-nitro-2-sulfo-phenyl)ethyl]besylic acid Formula: C14H12N2O10S2 MolecularWeight: 432.38248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CCC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CCC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O10S2/c17-15(18)11-3-5-13(27(21,22)23)9(7-11)1-2-10-8-12(16(19)20)4-6-14(10)28(24,25)26/h3-8H,1-2H2,(H,21,22,23)(H,24,25,26)