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

Systemtic Name: 1-azanyl-2-[2-ethyl-2-(hydroxymethyl)hexoxy]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)hexoxy]-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)hexoxy]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-[2-ethyl-2-(hydroxymethyl)hexoxy]-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(2-ethyl-2-methylol-hexoxy)-4-hydroxy-9,10-anthraquinone Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/c1-3-5-10-23(4-2,12-25)13-29-17-11-16(26)18-19(20(17)24)22(28)15-9-7-6-8-14(15)21(18)27/h6-9,11,25-26H,3-5,10,12-13,24H2,1-2H3