2-[bis(2-chloroethyl)aminomethyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one hydrochloride

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one hydrochloride Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one hydrochloride CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone hydrochloride IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one hydrochloride Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-3-hydroxy-6-methylol-pyran-4-one hydrochloride Formula: C11H16Cl3NO4 MolecularWeight: 332.60804

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C(C1=O)O)CN(CCCl)CCCl)CO.Cl

Isomeric SMILES

C1=C(OC(=C(C1=O)O)CN(CCCl)CCCl)CO.Cl

InChI

InChI=1S/C11H15Cl2NO4.ClH/c12-1-3-14(4-2-13)6-10-11(17)9(16)5-8(7-15)18-10;/h5,15,17H,1-4,6-7H2;1H