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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O

Isomeric SMILES

CCCCNCC(COC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O

InChI

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