Ethanol, 2,2′,2′′-nitrilotris-, 2-(4-aminophenyl)-6-methyl-7-benzothiazolesulfonate (salt)

80890-42-2

CAS Name

7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Molecular Formula

C₁₄H₁₂N₂O₃S₂.C₆H₁₅NO₃

Molecular Mass

469.58

Other Names and Identifiers

InChI

InChI=1S/C14H12N2O3S2.C6H15NO3/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9;8-4-1-7(2-5-9)3-6-10/h2-7H,15H2,1H3,(H,17,18,19);8-10H,1-6H2

InChIKey

InChIKey=QDDVIQOJFQOVJW-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C(N=C(S2)C3=CC=C(N)C=C3)=CC=C1C.N(CCO)(CCO)CCO

Canonical SMILES

O=S(=O)(O)C=1C=2SC(=NC2C=CC1C)C3=CC=C(N)C=C3.OCCN(CCO)CCO

Other Names for this Substance