C.I. Direct Black 22 sodium salt

83221-67-4

CAS Name

2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:?)

Molecular Formula

C₄₄H₃₅N₁₃O₁₁S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C44H35N13O11S3.Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);

InChIKey

InChIKey=ARALODLYBBYGFY-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC(S(=O)(=O)O)=C(NC4=CC=C(N=NC=5C(S(=O)(=O)O)=CC6=C(C5O)C=C(N=NC7=C(N)C=C(N)C=C7)C=C6)C=C4)C=C3)C=CC(N=NC8=C(N)C=C(N)C=C8)=C2.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=C2C=CC(N=NC3=CC=C(N)C=C3N)=CC2=C(O)C1N=NC4=CC=C(C=C4)NC5=CC=C(N=NC=6C(O)=C7C=C(N=NC8=CC=C(N)C=C8N)C=CC7=CC6S(=O)(=O)O)C=C5S(=O)(=O)O

Other Names for this Substance