2,7-naphthalenedisulfonic acid, 3,3'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)-2,1-diazenediyl))bis(5-amino-4-hydroxy-6-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:8)

Structural Information

Molecular Formula

C₅₆H₄₀Cl₂N₂₀O₂₆S₈

SMILES

C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)N=NC6=CC=C(C=C6)S(=O)(=O)O)N)O)NC7=NC(=NC(=N7)Cl)NC8=CC(=C(C=C8)S(=O)(=O)O)N=NC9=C(C1=C(C(=C(C=C1C=C9S(=O)(=O)O)S(=O)(=O)O)N=NC1=CC=C(C=C1)S(=O)(=O)O)N)O

InChI

InChI=1S/C56H40Cl2N20O26S8/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70)

InChIKey

GOAZAAHFBGSCRS-UHFFFAOYSA-N

Compound name

5-amino-3-[[5-[[4-[3-[[4-[3-[[8-amino-1-hydroxy-3,6-disulfo-7-[(4-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]-4-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid

Related CIDs

• CID 16131282