2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-quinone Formula: C17H21Cl2NO3 MolecularWeight: 358.25954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)CN(CCCl)CCCl)C2=CC=C(C=C2)O

Isomeric SMILES

C1C(CC(=O)C(C1=O)CN(CCCl)CCCl)C2=CC=C(C=C2)O

InChI

InChI=1S/C17H21Cl2NO3/c18-5-7-20(8-6-19)11-15-16(22)9-13(10-17(15)23)12-1-3-14(21)4-2-12/h1-4,13,15,21H,5-11H2