2-(2-chloroethyl)isoindole-1,3-dione; ethane; thiophosphate

Systemtic Name: 2-(2-chloroethyl)isoindole-1,3-dione; ethane; thiophosphate Openeye Name: 2-(2-chloroethyl)isoindoline-1,3-dione; ethane; thiophosphate CAS Name: 2-(2-chloroethyl)isoindole-1,3-dione; ethane; thiophosphate IUPAC Name: 2-(2-chloroethyl)isoindole-1,3-dione; ethane; thiophosphate Traditional Name: 2-(2-chloroethyl)isoindoline-1,3-quinone; ethane; thiophosphate Formula: C12H14ClNO5PS-3 MolecularWeight: 350.735021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCl.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCl.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C10H8ClNO2.C2H6.H3O3PS/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;1-2;1-4(2,3)5/h1-4H,5-6H2;1-2H3;(H3,1,2,3,5)/p-3