2,7-Naphthalenedisulfonic acid, 3-[(2-chloro-4-nitrophenyl)azo]-5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt

85391-42-0

CAS Name

2,7-Naphthalenedisulfonic acid, 3-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[2-[2,4-dihydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)

Molecular Formula

C₃₄H₂₂ClN₉O₁₆S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C34H22ClN9O16S3.3Na/c35-22-11-19(43(48)49)5-7-23(22)38-42-33-31(63(58,59)60)10-16-9-21(61(52,53)54)13-27(32(16)34(33)47)41-40-26-14-25(28(45)15-29(26)46)39-37-18-3-1-17(2-4-18)36-24-8-6-20(44(50)51)12-30(24)62(55,56)57;;;/h1-15,36,45-47H,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;

InChIKey

InChIKey=HCDQMZDRDKCAHN-UHFFFAOYSA-N

SMILES

N(=NC1=CC(N=NC2=CC=C(NC3=C(S(=O)(=O)O)C=C(N(=O)=O)C=C3)C=C2)=C(O)C=C1O)C=4C5=C(C=C(S(=O)(=O)O)C(N=NC6=C(Cl)C=C(N(=O)=O)C=C6)=C5O)C=C(S(=O)(=O)O)C4.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC(N=NC5=CC=C(C=C5)NC6=CC=C(C=C6S(=O)(=O)O)N(=O)=O)=C(O)C=C4O)=CC(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C(Cl)=C1

Other Names for this Substance