Molecule ID: 80762

IUPAC Name: 1,2,4,5,6,8-hexahydroxyanthracene-9,10-dione

Description: The molecule is a hexahydroxyanthraquinone that is anthracene-9,10-dione in which the six hydroxy substituents are located at positions 1, 2, 4, 5, 6 and 8. Used as as a hematoxylin substitute in H&E staining. It has a role as a histological dye.

SMILES: O=C1c2c(O)cc(O)c(O)c2C(=O)c2c(O)cc(O)c(O)c21

SELFIES: [O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][Ring2][Ring1][Branch1]

InChI: InChI=1S/C14H8O8/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2,15-20H

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 1.8