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

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

Systemtic Name:3-[bis(2-chloroethyl)aminomethyl]-1,6-dimethoxy-8-oxidanyl-anthracene-9,10-dione
Openeye Name:6-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-3,8-dimethoxy-anthracene-9,10-dione
CAS Name:6-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-3,8-dimethoxyanthracene-9,10-dione
IUPAC Name:6-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-3,8-dimethoxyanthracene-9,10-dione
Traditional Name:6-[bis(2-chloroethyl)aminomethyl]-1-hydroxy-3,8-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)OC)CN(CCCl)CCCl)O


Isomeric SMILES

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


InChI

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


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