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

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

Systemtic Name:2-(2-chloroethyl)isoindole-1,3-dione; ethane; dithiophosphate
Openeye Name:2-(2-chloroethyl)isoindoline-1,3-dione; ethane; dithiophosphate
CAS Name:2-(2-chloroethyl)isoindole-1,3-dione; ethane; dithiophosphate
IUPAC Name:2-(2-chloroethyl)isoindole-1,3-dione; ethane; dithiophosphate
Traditional Name:2-(2-chloroethyl)isoindoline-1,3-quinone; ethane; dithiophosphate
Formula: C14H20ClNO8P2S2-6
MolecularWeight: 491.841022
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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