5-(3-carboxy-4-isocyanato-phenyl)carbonyl-2-isocyanato-benzoic acid

Systemtic Name: 5-(3-carboxy-4-isocyanato-phenyl)carbonyl-2-isocyanato-benzoic acid Openeye Name: 5-(3-carboxy-4-isocyanato-benzoyl)-2-isocyanato-benzoic acid CAS Name: 5-[(3-carboxy-4-isocyanatophenyl)-oxomethyl]-2-isocyanatobenzoic acid IUPAC Name: 5-(3-carboxy-4-isocyanatobenzoyl)-2-isocyanatobenzoic acid Traditional Name: 5-(3-carboxy-4-isocyanato-benzoyl)-2-isocyanato-benzoic acid Formula: C17H8N2O7 MolecularWeight: 352.25462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8N2O7/c20-7-18-13-3-1-9(5-11(13)16(23)24)15(22)10-2-4-14(19-8-21)12(6-10)17(25)26/h1-6H,(H,23,24)(H,25,26)