3-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-1-oxidanyl-anthracene-9,10-dione

Systemtic Name: 3-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-1-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-3-[2-hydroxy-3-(sec-butylamino)propoxy]anthracene-9,10-dione CAS Name: 3-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1-hydroxyanthracene-9,10-dione IUPAC Name: 3-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1-hydroxyanthracene-9,10-dione Traditional Name: 1-hydroxy-3-[2-hydroxy-3-(sec-butylamino)propoxy]-9,10-anthraquinone Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O

Isomeric SMILES

CCC(C)NCC(COC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O

InChI

InChI=1S/C21H23NO5/c1-3-12(2)22-10-13(23)11-27-14-8-17-19(18(24)9-14)21(26)16-7-5-4-6-15(16)20(17)25/h4-9,12-13,22-24H,3,10-11H2,1-2H3