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

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-1-methoxy-8-oxidanyl-anthracene-9,10-dione Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-8-hydroxy-1-methoxy-anthracene-9,10-dione CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-8-hydroxy-1-methoxyanthracene-9,10-dione IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-8-hydroxy-1-methoxyanthracene-9,10-dione Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-8-hydroxy-1-methoxy-9,10-anthraquinone Formula: C20H19Cl2NO4 MolecularWeight: 408.27516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CN(CCCl)CCCl)C(=O)C3=C(C2=O)C(=CC=C3)O

Isomeric SMILES

COC1=C2C(=CC(=C1)CN(CCCl)CCCl)C(=O)C3=C(C2=O)C(=CC=C3)O

InChI

InChI=1S/C20H19Cl2NO4/c1-27-16-10-12(11-23(7-5-21)8-6-22)9-14-18(16)20(26)17-13(19(14)25)3-2-4-15(17)24/h2-4,9-10,24H,5-8,11H2,1H3