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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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