3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris(2-isocyanatoethyl)benzene-1,2,4-tricarboxylate Formula: C18H12N3O9-3 MolecularWeight: 414.30258

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Descriptors Computed from Structure

Canonical SMILES:

C(CN=C=O)C1=C(C(=C(C(=C1C(=O)[O-])CCN=C=O)C(=O)[O-])C(=O)[O-])CCN=C=O

Isomeric SMILES

C(CN=C=O)C1=C(C(=C(C(=C1C(=O)[O-])CCN=C=O)C(=O)[O-])C(=O)[O-])CCN=C=O

InChI

InChI=1S/C18H15N3O9/c22-7-19-4-1-10-11(2-5-20-8-23)14(17(27)28)15(18(29)30)12(3-6-21-9-24)13(10)16(25)26/h1-6H2,(H,25,26)(H,27,28)(H,29,30)/p-3