6-[bis(2-chloroethyl)aminomethyl]-4-methyl-chromen-2-one hydrochloride

Systemtic Name: 6-[bis(2-chloroethyl)aminomethyl]-4-methyl-chromen-2-one hydrochloride Openeye Name: 6-[bis(2-chloroethyl)aminomethyl]-4-methyl-chromen-2-one hydrochloride CAS Name: 6-[bis(2-chloroethyl)aminomethyl]-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-[bis(2-chloroethyl)aminomethyl]-4-methylchromen-2-one hydrochloride Traditional Name: 6-[bis(2-chloroethyl)aminomethyl]-4-methyl-coumarin hydrochloride Formula: C15H18Cl3NO2 MolecularWeight: 350.66792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=C(C=C2)CN(CCCl)CCCl.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C15H17Cl2NO2.ClH/c1-11-8-15(19)20-14-3-2-12(9-13(11)14)10-18(6-4-16)7-5-17;/h2-3,8-9H,4-7,10H2,1H3;1H