Einecs 300-617-8

Structural Information

Molecular Formula

C₆₂H₄₄Cl₂N₁₄O₂₆S₈

SMILES

CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C5=NC(=NC(=N5)NC6=CC(=C(C=C6)/C=C/C7=C(C=C(C=C7)NC8=NC(=NC(=N8)Cl)N(C)C9=CC1=CC(=C(C(=C1C=C9)O)N=NC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C62H44Cl2N14O26S8/c1-77(35-15-17-37-31(23-35)25-49(109(93,94)95)51(53(37)79)75-73-43-21-19-39-41(55(43)111(99,100)101)5-3-7-45(39)105(81,82)83)61-69-57(63)67-59(71-61)65-33-13-11-29(47(27-33)107(87,88)89)9-10-30-12-14-34(28-48(30)108(90,91)92)66-60-68-58(64)70-62(72-60)78(2)36-16-18-38-32(24-36)26-50(110(96,97)98)52(54(38)80)76-74-44-22-20-40-42(56(44)112(102,103)104)6-4-8-46(40)106(84,85)86/h3-28,79-80H,1-2H3,(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)(H,65,67,69,71)(H,66,68,70,72)/b10-9+,75-73?,76-74?

InChIKey

IUYVQTSRRZICKL-FUQOXJOCSA-N

Compound name

2-[[6-[[4-chloro-6-[4-[(E)-2-[4-[[4-chloro-6-[[6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]-methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid

Related CIDs

• CID 56841478