1,4-bis[(3-chloranyl-2-oxidanyl-propyl)amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[(3-chloranyl-2-oxidanyl-propyl)amino]anthracene-9,10-dione Openeye Name: 1,4-bis[(3-chloro-2-hydroxy-propyl)amino]anthracene-9,10-dione CAS Name: 1,4-bis[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione Traditional Name: 1,4-bis[(3-chloro-2-hydroxy-propyl)amino]-9,10-anthraquinone Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CCl)O)NCC(CCl)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CCl)O)NCC(CCl)O

InChI

InChI=1S/C20H20Cl2N2O4/c21-7-11(25)9-23-15-5-6-16(24-10-12(26)8-22)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,23-26H,7-10H2