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4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide

4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide

Systemtic Name:4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide
Openeye Name:4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide
CAS Name:4-[bis(2-chloroethyl)amino]-2-butanone hydrate dihydrobromide
IUPAC Name:4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide
Traditional Name:4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide
Formula: C16H34Br2Cl4N2O3
MolecularWeight: 604.07276
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN(CCCl)CCCl.CC(=O)CCN(CCCl)CCCl.O.Br.Br


Isomeric SMILES

CC(=O)CCN(CCCl)CCCl.CC(=O)CCN(CCCl)CCCl.O.Br.Br


InChI

InChI=1S/2C8H15Cl2NO.2BrH.H2O/c2*1-8(12)2-5-11(6-3-9)7-4-10;;;/h2*2-7H2,1H3;2*1H;1H2


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