2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid

Systemtic Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid Openeye Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid CAS Name: 2-isocyanato-5-(4-isocyanato-3-sulfophenyl)sulfonylbenzenesulfonic acid IUPAC Name: 2-isocyanato-5-(4-isocyanato-3-sulfophenyl)sulfonylbenzenesulfonic acid Traditional Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-phenyl)sulfonyl-besylic acid Formula: C14H8N2O10S3 MolecularWeight: 460.41572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C14H8N2O10S3/c17-7-15-11-3-1-9(5-13(11)28(21,22)23)27(19,20)10-2-4-12(16-8-18)14(6-10)29(24,25)26/h1-6H,(H,21,22,23)(H,24,25,26)