8-[bis(2-chloroethyl)aminomethyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride

Systemtic Name: 8-[bis(2-chloroethyl)aminomethyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride Openeye Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenyl-chromen-2-one hydrochloride CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenylchromen-2-one hydrochloride Traditional Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenyl-coumarin hydrochloride Formula: C20H20Cl3NO3 MolecularWeight: 428.7367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CN(CCCl)CCCl)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CN(CCCl)CCCl)O.Cl

InChI

InChI=1S/C20H19Cl2NO3.ClH/c21-8-10-23(11-9-22)13-17-18(24)7-6-15-16(12-19(25)26-20(15)17)14-4-2-1-3-5-14;/h1-7,12,24H,8-11,13H2;1H