C.I. Direct Yellow 157

CAS Name

7-Benzothiazolesulfonic acid, 2-[4-[2-[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]-6-methyl-, sodium salt (1:2)

Molecular Formula

C₂₆H₂₄N₄O₉S₃.2Na

Molecular Mass

678.67

Other Names and Identifiers

InChI

InChI=1S/C26H24N4O9S3.2Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);;

InChIKey

InChIKey=AAPYYCJSWINGJV-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(NC=1C=C(C(=CC1OC)S(=O)(=O)O)C)C(N=NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)O)C)C(=O)C

Other Names for this Substance