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

Systemtic Name: 1-[(3-chloranyl-2-oxidanyl-propyl)amino]-4-[[2-oxidanyl-3-(propylamino)propyl]amino]anthracene-9,10-dione hydrochloride Openeye Name: 1-[(3-chloro-2-hydroxy-propyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione hydrochloride CAS Name: 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione hydrochloride IUPAC Name: 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione hydrochloride Traditional Name: 1-[(3-chloro-2-hydroxy-propyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]-9,10-anthraquinone hydrochloride Formula: C23H29Cl2N3O4 MolecularWeight: 482.40006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(CNC1=C2C(=C(C=C1)NCC(CCl)O)C(=O)C3=CC=CC=C3C2=O)O.Cl

Isomeric SMILES

CCCNCC(CNC1=C2C(=C(C=C1)NCC(CCl)O)C(=O)C3=CC=CC=C3C2=O)O.Cl

InChI

InChI=1S/C23H28ClN3O4.ClH/c1-2-9-25-11-15(29)13-27-19-8-7-18(26-12-14(28)10-24)20-21(19)23(31)17-6-4-3-5-16(17)22(20)30;/h3-8,14-15,25-29H,2,9-13H2,1H3;1H