2-isocyanato-2-[2,4,5-tris(2-isocyanato-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-isocyanato-2-[2,4,5-tris(2-isocyanato-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid Openeye Name: 2-isocyanato-2-[2,4,5-tris(2-hydroxy-1-isocyanato-1-methyl-2-oxo-ethyl)phenyl]propanoic acid CAS Name: 2-isocyanato-2-[2,4,5-tris(1-hydroxy-2-isocyanato-1-oxopropan-2-yl)phenyl]propanoic acid IUPAC Name: 2-isocyanato-2-[2,4,5-tris(1-hydroxy-2-isocyanato-1-oxopropan-2-yl)phenyl]propanoic acid Traditional Name: 2-isocyanato-2-[2,4,5-tris(2-hydroxy-1-isocyanato-2-keto-1-methyl-ethyl)phenyl]propionic acid Formula: C22H18N4O12 MolecularWeight: 530.39792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O12/c1-19(15(31)32,23-7-27)11-5-13(21(3,17(35)36)25-9-29)14(22(4,18(37)38)26-10-30)6-12(11)20(2,16(33)34)24-8-28/h5-6H,1-4H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38)