1-azanyl-2-[2-ethyl-2-(hydroxymethyl)butoxy]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[2-ethyl-2-(hydroxymethyl)butoxy]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)butoxy]-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)butoxy]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)butoxy]-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(2-ethyl-2-methylol-butoxy)-4-hydroxy-9,10-anthraquinone Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-3-21(4-2,10-23)11-27-15-9-14(24)16-17(18(15)22)20(26)13-8-6-5-7-12(13)19(16)25/h5-9,23-24H,3-4,10-11,22H2,1-2H3