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

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-1,6,8-trimethoxy-anthracene-9,10-dione Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-1,6,8-trimethoxy-anthracene-9,10-dione CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-1,6,8-trimethoxyanthracene-9,10-dione IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-1,6,8-trimethoxyanthracene-9,10-dione Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-1,6,8-trimethoxy-9,10-anthraquinone Formula: C22H23Cl2NO5 MolecularWeight: 452.32772

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2NO5/c1-28-14-10-16-20(18(11-14)30-3)22(27)19-15(21(16)26)8-13(9-17(19)29-2)12-25(6-4-23)7-5-24/h8-11H,4-7,12H2,1-3H3