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

Systemtic Name: 1-[(3-chloranyl-2-oxidanyl-propyl)amino]-4-[[2-oxidanyl-3-(propylamino)propyl]amino]anthracene-9,10-dione Openeye Name: 1-[(3-chloro-2-hydroxy-propyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione CAS Name: 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione IUPAC Name: 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione Traditional Name: 1-[(3-chloro-2-hydroxy-propyl)amino]-4-[[2-hydroxy-3-(propylamino)propyl]amino]-9,10-anthraquinone Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4/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