Ethanol, 2,2′,2′′-[nitrilotris(2,1-ethanediyloxy)]tris-, 2-[4-[[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-7-benzothiazolesulfonate (salt), sodium salt

85284-00-0

CAS Name

7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, sodium salt, compd. with 2,2′,2′′-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]

Molecular Formula

C₂₅H₂₂N₄O₉S₃.xC₁₂H₂₇NO₆.xNa

Other Names and Identifiers

InChI

InChI=1S/C25H22N4O9S3.C12H27NO6.Na/c1-13-4-10-18-22(23(13)41(35,36)37)39-25(27-18)15-5-7-16(8-6-15)28-29-21(14(2)30)24(31)26-19-12-17(40(32,33)34)9-11-20(19)38-3;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h4-12,21H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);14-16H,1-12H2;

InChIKey

InChIKey=QAXPGTIKHHVQRS-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C3=CC=C(N=NC(C(NC4=C(OC)C=CC(S(=O)(=O)O)=C4)=O)C(C)=O)C=C3)=CC=C1C.N(CCOCCO)(CCOCCO)CCOCCO.[Na]

Canonical SMILES

[Na].O=C(NC1=CC(=CC=C1OC)S(=O)(=O)O)C(N=NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)O)C)C(=O)C.OCCOCCN(CCOCCO)CCOCCO

Other Names for this Substance