Molecule ID: 49875685

IUPAC Name: disodium;1,3,4,5,7,8-hexahydroxy-9,10-dioxoanthracene-2,6-disulfonate

Description: The molecule is an organic sodium salt that is the disodium salt of 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid. Used as a hematoxylin substitute in H&E staining. It has a role as a histological dye and a fluorochrome. It is an organic sodium salt and an organosulfonate salt. It contains a 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate.

SMILES: O=C1c2c([O-])c(O)c(S(=O)(=O)O)c(O)c2C(=O)c2c([O-])c(O)c(S(=O)(=O)O)c(O)c21.[Na+].[Na+]

SELFIES: [O][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][=N][Ring2][Ring1][=N].[Na+1].[Na+1]

InChI: InChI=1S/C14H8O14S2.2Na/c15-5-1-3(9(19)13(29(23,24)25)11(21)7(1)17)6(16)2-4(5)10(20)14(30(26,27)28)12(22)8(2)18;;/h17-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 287.0 Ų
- LogP: nan