2-isocyanato-5-[(4-isocyanato-3-sulfo-phenyl)methyl]benzenesulfonic acid

Systemtic Name: 2-isocyanato-5-[(4-isocyanato-3-sulfo-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-isocyanato-5-[(4-isocyanato-3-sulfo-phenyl)methyl]benzenesulfonic acid CAS Name: 2-isocyanato-5-[(4-isocyanato-3-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 2-isocyanato-5-[(4-isocyanato-3-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: 2-isocyanato-5-(4-isocyanato-3-sulfo-benzyl)besylic acid Formula: C15H10N2O8S2 MolecularWeight: 410.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C15H10N2O8S2/c18-8-16-12-3-1-10(6-14(12)26(20,21)22)5-11-2-4-13(17-9-19)15(7-11)27(23,24)25/h1-4,6-7H,5H2,(H,20,21,22)(H,23,24,25)