4-oxidanylidenebutyl 2-[2-[bis(2-chloroethyl)amino]phenyl]ethaneperoxoate

Systemtic Name: 4-oxidanylidenebutyl 2-[2-[bis(2-chloroethyl)amino]phenyl]ethaneperoxoate Openeye Name: 4-oxobutyl 2-[2-[bis(2-chloroethyl)amino]phenyl]peroxyacetate CAS Name: 2-[2-[bis(2-chloroethyl)amino]phenyl]ethaneperoxoic acid 4-oxobutyl ester IUPAC Name: 4-oxobutyl 2-[2-[bis(2-chloroethyl)amino]phenyl]ethaneperoxoate Traditional Name: 2-[2-[bis(2-chloroethyl)amino]phenyl]peracetic acid 4-ketobutyl ester Formula: C16H21Cl2NO4 MolecularWeight: 362.24824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)OOCCCC=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)OOCCCC=O)N(CCCl)CCCl

InChI

InChI=1S/C16H21Cl2NO4/c17-7-9-19(10-8-18)15-6-2-1-5-14(15)13-16(21)23-22-12-4-3-11-20/h1-2,5-6,11H,3-4,7-10,12-13H2