Ethanol, 2,2′,2′′-nitrilotris-, 3,3′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methylbenzoate] (salt), potassium salt

85269-31-4

CAS Name

Benzoic acid, 3,3′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, potassium salt, compd. with 2,2′,2′′-nitrilotris[ethanol]

Molecular Formula

C₃₀H₂₄N₄O₁₂S₂.xC₆H₁₅NO₃.xK

Other Names and Identifiers

InChI

InChI=1S/C30H24N4O12S2.C6H15NO3.K/c1-15-9-21(11-23(27(15)35)29(37)38)33-31-19-7-5-17(25(13-19)47(41,42)43)3-4-18-6-8-20(14-26(18)48(44,45)46)32-34-22-10-16(2)28(36)24(12-22)30(39)40;8-4-1-7(2-5-9)3-6-10;/h3-14,35-36H,1-2H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46);8-10H,1-6H2;

InChIKey

InChIKey=LHUWYJHWEASGSL-UHFFFAOYSA-N

SMILES

C(=CC1=C(S(=O)(=O)O)C=C(N=NC2=CC(C(O)=O)=C(O)C(C)=C2)C=C1)C3=C(S(=O)(=O)O)C=C(N=NC4=CC(C(O)=O)=C(O)C(C)=C4)C=C3.N(CCO)(CCO)CCO.[K]

Canonical SMILES

[K].O=C(O)C1=CC(N=NC2=CC=C(C=CC3=CC=C(N=NC=4C=C(C(=O)O)C(O)=C(C4)C)C=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)=CC(=C1O)C.OCCN(CCO)CCO

Other Names for this Substance