2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfo-propyl]benzenesulfonic acid

Systemtic Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfo-propyl]benzenesulfonic acid Openeye Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfo-propyl]benzenesulfonic acid CAS Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfopropyl]benzenesulfonic acid IUPAC Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfopropyl]benzenesulfonic acid Traditional Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-3-sulfo-propyl]besylic acid Formula: C17H14N2O8S2 MolecularWeight: 438.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCS(=O)(=O)O)C2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1C(CCS(=O)(=O)O)C2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C17H14N2O8S2/c20-10-18-14-4-1-12(2-5-14)15(7-8-28(22,23)24)13-3-6-16(19-11-21)17(9-13)29(25,26)27/h1-6,9,15H,7-8H2,(H,22,23,24)(H,25,26,27)