1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol

Systemtic Name: 1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol Openeye Name: 1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol CAS Name: 1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol IUPAC Name: 1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol Traditional Name: 1,2,3-triisocyanatobenzene; 2,3,4-triisocyanatophenol Formula: C18H6N6O7 MolecularWeight: 418.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N=C=O)N=C=O)N=C=O.C1=CC(=C(C(=C1N=C=O)N=C=O)N=C=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)N=C=O)N=C=O)N=C=O.C1=CC(=C(C(=C1N=C=O)N=C=O)N=C=O)O

InChI

InChI=1S/C9H3N3O4.C9H3N3O3/c13-3-10-6-1-2-7(16)9(12-5-15)8(6)11-4-14;13-4-10-7-2-1-3-8(11-5-14)9(7)12-6-15/h1-2,16H;1-3H