Sodium Carmine

Molecular Formula: C₂₂H₁₉NaO₁₃

InChI: InChI=1/C22H20O13.Na/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);/q;+1/p-1/t7u,14-,19+,20+,21+;/m1./s1/fC22H19O13.Na/q-1;m

InChIKey: InChIKey=WTQDFYCCGXPQPN-PCSUPPMRDF
SMILES: CC1=C2C(=CC(=C1C(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O.[Na+]

Names:
    Sodacarmin [German]
    Sodium carminate
    Sodium Carmine
    sodium 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
    2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-7-(alpha-D-glucopyranosyl)-1-methyl-3,5,6,8-tetrahydroxy-, sodium salt
    2-ANTHRACENECARBOXYLIC ACID, 9,10-DIHYDRO-9,10-DIOXO-7-(alpha-D-GLUCOPYRANOSYL)-
    64536-02-3

Registries:
    PubChem CID 11969481
    PubChem ID 186693