Disodium 4,4'-Diaminodianthraquinone 3,3'-disulfonate

Analyte Name

Disodium 4,4'-Diaminodianthraquinone 3,3'-disulfonate

CAS Number

6022-22-6

Molecular Formula

C28 H14 N2 Na2 O10 S2

Molecular Weight

648.528

Accurate Mass

647.989

SMILES

Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O[Na])c4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)O[Na]

InChI

InChI=1S/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

IUPAC

[1-amino-4-(4-amino-9,10-dioxo-3-sodiooxysulfonylanthracen-1-yl)-9,10-dioxoanthracen-2-yl]sulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat