2,7-Naphthalenedisulfonic acid, 4-[[3-[[3-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-6-(phenylazo)-, trisodium salt

85631-86-3

CAS Name

2,7-Naphthalenedisulfonic acid, 5-[2-[3-[2-[3-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]phenyl]diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:3)

Molecular Formula

C₃₈H₂₈N₁₀O₁₃S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C38H28N10O13S3.3Na/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22;;;/h2-19,33,49-51H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;

InChIKey

InChIKey=BAYJNYJMSRQXHH-UHFFFAOYSA-N

SMILES

N(=NC1=C(O)C(N=NC2=CC(=CC=C2)N3C(=O)C(N=NC4=CC=C(S(=O)(=O)O)C=C4)C(C)=N3)=C(O)C=C1)C=5C6=C(C=C(S(=O)(=O)O)C(N=NC7=CC=CC=C7)=C6O)C=C(S(=O)(=O)O)C5.[Na]

Canonical SMILES

[Na].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C=3C=CC=C(N=NC=4C(O)=CC=C(N=NC5=CC(=CC6=CC(=C(N=NC=7C=CC=CC7)C(O)=C56)S(=O)(=O)O)S(=O)(=O)O)C4O)C3

Other Names for this Substance