Molecule ID: 3955344

IUPAC Name: sodium;3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate

Description: The molecule is an organic sodium salt having 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate as the counterion. It is commonly used to stain embryo skeletons in cleared whole mounts, usually of small mammals. It has a role as a histological dye. It is an organic sodium salt and an organosulfonate salt. It contains a 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate.

SMILES: O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c([O-])c2O.[Na+]

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

InChI: InChI=1S/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: nan