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

Systemtic Name: 5-nitro-2-[(4-nitro-2-sulfo-phenyl)methylsulfanylmethyl]benzenesulfonic acid Openeye Name: 5-nitro-2-[(4-nitro-2-sulfo-phenyl)methylsulfanylmethyl]benzenesulfonic acid CAS Name: 5-nitro-2-[[(4-nitro-2-sulfophenyl)methylthio]methyl]benzenesulfonic acid IUPAC Name: 5-nitro-2-[(4-nitro-2-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid Traditional Name: 5-nitro-2-[[(4-nitro-2-sulfo-benzyl)thio]methyl]besylic acid Formula: C14H12N2O10S3 MolecularWeight: 464.44748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)CSCC2=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)CSCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H12N2O10S3/c17-15(18)11-3-1-9(13(5-11)28(21,22)23)7-27-8-10-2-4-12(16(19)20)6-14(10)29(24,25)26/h1-6H,7-8H2,(H,21,22,23)(H,24,25,26)