isocyanatobenzene; tris(2-chloroethyl) phosphate

Systemtic Name: isocyanatobenzene; tris(2-chloroethyl) phosphate Openeye Name: isocyanatobenzene; tris(2-chloroethyl) phosphate CAS Name: isocyanatobenzene; phosphoric acid tris(2-chloroethyl) ester IUPAC Name: isocyanatobenzene; tris(2-chloroethyl) phosphate Traditional Name: isocyanatobenzene; phosphoric acid tris(2-chloroethyl) ester Formula: C13H17Cl3NO5P MolecularWeight: 404.610541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C=O.C(CCl)OP(=O)(OCCCl)OCCCl

Isomeric SMILES

C1=CC=C(C=C1)N=C=O.C(CCl)OP(=O)(OCCCl)OCCCl

InChI

InChI=1S/C7H5NO.C6H12Cl3O4P/c9-6-8-7-4-2-1-3-5-7;7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-5H;1-6H2