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

Systemtic Name: 6-[bis(2-chloroethyl)aminomethyl]-1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-6,8-dimethoxy-anthracene-9,10-dione CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-6,8-dimethoxyanthracene-9,10-dione IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-6,8-dimethoxyanthracene-9,10-dione Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-6,8-dimethoxy-9,10-anthraquinone Formula: C21H21Cl2NO5 MolecularWeight: 438.30114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)CN(CCCl)CCCl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)CN(CCCl)CCCl)OC

InChI

InChI=1S/C21H21Cl2NO5/c1-28-13-9-15-19(17(10-13)29-2)21(27)18-14(20(15)26)7-12(8-16(18)25)11-24(5-3-22)6-4-23/h7-10,25H,3-6,11H2,1-2H3