5-nitro-2-(4-nitro-2-sulfo-phenyl)sulfanyl-benzenesulfonic acid

Systemtic Name: 5-nitro-2-(4-nitro-2-sulfo-phenyl)sulfanyl-benzenesulfonic acid Openeye Name: 5-nitro-2-(4-nitro-2-sulfo-phenyl)sulfanyl-benzenesulfonic acid CAS Name: 5-nitro-2-[(4-nitro-2-sulfophenyl)thio]benzenesulfonic acid IUPAC Name: 5-nitro-2-(4-nitro-2-sulfophenyl)sulfanylbenzenesulfonic acid Traditional Name: 5-nitro-2-[(4-nitro-2-sulfo-phenyl)thio]besylic acid Formula: C12H8N2O10S3 MolecularWeight: 436.39432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H8N2O10S3/c15-13(16)7-1-3-9(11(5-7)26(19,20)21)25-10-4-2-8(14(17)18)6-12(10)27(22,23)24/h1-6H,(H,19,20,21)(H,22,23,24)