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

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxy-9,10-anthraquinone Formula: C19H17Cl2NO4 MolecularWeight: 394.24858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CN(CCCl)CCCl)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CN(CCCl)CCCl)O

InChI

InChI=1S/C19H17Cl2NO4/c20-4-6-22(7-5-21)10-11-8-13-17(15(24)9-11)19(26)16-12(18(13)25)2-1-3-14(16)23/h1-3,8-9,23-24H,4-7,10H2