1-azanyl-2-(2,3-dimethyl-4-oxidanyl-hexan-2-yl)oxy-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(2,3-dimethyl-4-oxidanyl-hexan-2-yl)oxy-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-(3-hydroxy-1,1,2-trimethyl-pentoxy)anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-(4-hydroxy-2,3-dimethylhexan-2-yl)oxyanthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-(4-hydroxy-2,3-dimethylhexan-2-yl)oxyanthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-(3-hydroxy-1,1,2-trimethyl-pentoxy)-9,10-anthraquinone Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C)(C)OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)O

Isomeric SMILES

CCC(C(C)C(C)(C)OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)O

InChI

InChI=1S/C22H25NO5/c1-5-14(24)11(2)22(3,4)28-16-10-15(25)17-18(19(16)23)21(27)13-9-7-6-8-12(13)20(17)26/h6-11,14,24-25H,5,23H2,1-4H3