3,4,5-triisocyanato-2-methyl-benzoic acid

Systemtic Name: 3,4,5-triisocyanato-2-methyl-benzoic acid Openeye Name: 3,4,5-triisocyanato-2-methyl-benzoic acid CAS Name: 3,4,5-triisocyanato-2-methylbenzoic acid IUPAC Name: 3,4,5-triisocyanato-2-methylbenzoic acid Traditional Name: 3,4,5-triisocyanato-2-methyl-benzoic acid Formula: C11H5N3O5 MolecularWeight: 259.1745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)N=C=O)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)N=C=O)N=C=O)N=C=O

InChI

InChI=1S/C11H5N3O5/c1-6-7(11(18)19)2-8(12-3-15)10(14-5-17)9(6)13-4-16/h2H,1H3,(H,18,19)