5-(3-carboxy-4-isocyanato-phenoxy)-2-isocyanato-benzoic acid

Systemtic Name: 5-(3-carboxy-4-isocyanato-phenoxy)-2-isocyanato-benzoic acid Openeye Name: 5-(3-carboxy-4-isocyanato-phenoxy)-2-isocyanato-benzoic acid CAS Name: 5-(3-carboxy-4-isocyanatophenoxy)-2-isocyanatobenzoic acid IUPAC Name: 5-(3-carboxy-4-isocyanatophenoxy)-2-isocyanatobenzoic acid Traditional Name: 5-(3-carboxy-4-isocyanato-phenoxy)-2-isocyanato-benzoic acid Formula: C16H8N2O7 MolecularWeight: 340.24392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=CC(=C(C=C2)N=C=O)C(=O)O)C(=O)O)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1OC2=CC(=C(C=C2)N=C=O)C(=O)O)C(=O)O)N=C=O

InChI

InChI=1S/C16H8N2O7/c19-7-17-13-3-1-9(5-11(13)15(21)22)25-10-2-4-14(18-8-20)12(6-10)16(23)24/h1-6H,(H,21,22)(H,23,24)