1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt

93912-64-2

CAS Name

1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)

Molecular Formula

C₃₇H₂₉ClN₁₀O₂₂S₇.6Na

Other Names and Identifiers

InChI

InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;

InChIKey

InChIKey=KBCNXQMLBJZUDD-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(S(=O)(=O)O)C4=C(C=C3)C(S(=O)(=O)O)=CC=C4)C=C(S(=O)(=O)O)C(N=NC5=C(S(=O)(=O)O)C=CC(NC=6N=C(NC7=CC(S(CCOS(=O)(=O)O)(=O)=O)=CC=C7)N=C(Cl)N6)=C5)=C2N.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(C(N=NC=4C(N)=C5C(O)=C(N=NC6=CC=C7C(C=CC=C7S(=O)(=O)O)=C6S(=O)(=O)O)C(=CC5=CC4S(=O)(=O)O)S(=O)(=O)O)=C3)S(=O)(=O)O

Other Names for this Substance