[1,1′-Biphenyl]-3,3′-dicarboxylic acid, 4,4′-bis[[5-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-, disodium salt

CAS Name

[1,1′-Biphenyl]-3,3′-dicarboxylic acid, 4,4′-bis[2-[5-[2-[5-(aminosulfonyl)-2-hydroxyphenyl]diazenyl]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:2)

Molecular Formula

C₅₈H₄₂N₁₂O₁₈S₄.2Na

Molecular Mass

1369.27

Other Names and Identifiers

InChI

InChI=1S/C58H42N12O18S4.2Na/c59-89(79,80)33-13-21-47(71)45(25-33)65-67-51-37-27-49(91(83,84)85)53(55(73)35(37)15-19-43(51)61-31-7-3-1-4-8-31)69-63-41-17-11-29(23-39(41)57(75)76)30-12-18-42(40(24-30)58(77)78)64-70-54-50(92(86,87)88)28-38-36(56(54)74)16-20-44(62-32-9-5-2-6-10-32)52(38)68-66-46-26-34(90(60,81)82)14-22-48(46)72;;/h1-28,61-62,71-74H,(H,75,76)(H,77,78)(H2,59,79,80)(H2,60,81,82)(H,83,84,85)(H,86,87,88);;

InChIKey

InChIKey=JTNBIDOXFJPILO-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1N=NC=2C(O)=C3C=CC(NC=4C=CC=CC4)=C(N=NC5=CC(=CC=C5O)S(=O)(=O)N)C3=CC2S(=O)(=O)O)C6=CC=C(N=NC=7C(O)=C8C=CC(NC=9C=CC=CC9)=C(N=NC%10=CC(=CC=C%10O)S(=O)(=O)N)C8=CC7S(=O)(=O)O)C(=C6)C(=O)O

Other Names for this Substance