1-azanyl-2-(2,2-dimethyl-3-oxidanyl-hexoxy)-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(2,2-dimethyl-3-oxidanyl-hexoxy)-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-(3-hydroxy-2,2-dimethyl-hexoxy)anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-(3-hydroxy-2,2-dimethylhexoxy)anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-(3-hydroxy-2,2-dimethylhexoxy)anthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-(3-hydroxy-2,2-dimethyl-hexoxy)-9,10-anthraquinone Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)COC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)O

Isomeric SMILES

CCCC(C(C)(C)COC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)O

InChI

InChI=1S/C22H25NO5/c1-4-7-16(25)22(2,3)11-28-15-10-14(24)17-18(19(15)23)21(27)13-9-6-5-8-12(13)20(17)26/h5-6,8-10,16,24-25H,4,7,11,23H2,1-3H3