2-isocyanato-5-[1-(4-isocyanatophenyl)-4-oxidanyl-4-oxidanylidene-butyl]benzoic acid

Systemtic Name: 2-isocyanato-5-[1-(4-isocyanatophenyl)-4-oxidanyl-4-oxidanylidene-butyl]benzoic acid Openeye Name: 5-[4-hydroxy-1-(4-isocyanatophenyl)-4-oxo-butyl]-2-isocyanato-benzoic acid CAS Name: 5-[4-hydroxy-1-(4-isocyanatophenyl)-4-oxobutyl]-2-isocyanatobenzoic acid IUPAC Name: 5-[4-hydroxy-1-(4-isocyanatophenyl)-4-oxobutyl]-2-isocyanatobenzoic acid Traditional Name: 5-[4-hydroxy-1-(4-isocyanatophenyl)-4-keto-butyl]-2-isocyanato-benzoic acid Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)N=C=O)C(=O)O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)N=C=O)C(=O)O)N=C=O

InChI

InChI=1S/C19H14N2O6/c22-10-20-14-4-1-12(2-5-14)15(6-8-18(24)25)13-3-7-17(21-11-23)16(9-13)19(26)27/h1-5,7,9,15H,6,8H2,(H,24,25)(H,26,27)