3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxy-anthracene-9,10-dione

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxy-anthracene-9,10-dione Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxy-anthracene-9,10-dione CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxyanthracene-9,10-dione IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxyanthracene-9,10-dione Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dimethoxy-9,10-anthraquinone Formula: C21H21Cl2NO4 MolecularWeight: 422.30174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CN(CCCl)CCCl)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CN(CCCl)CCCl)OC

InChI

InChI=1S/C21H21Cl2NO4/c1-27-16-5-3-4-14-18(16)21(26)19-15(20(14)25)10-13(11-17(19)28-2)12-24(8-6-22)9-7-23/h3-5,10-11H,6-9,12H2,1-2H3