5-[4-[[4,6-bis(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-[4-[4-[[4,6-bis(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-sulfo-phenyl]benzenesulfonic acid

Structural Information

Molecular Formula

C₅₄H₄₈N₁₈O₂₀S₈

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)N)NC9=CC(=CC=C9)S(=O)(=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C54H48N18O20S8/c55-93(73,74)37-9-1-5-29(21-37)61-49-67-50(62-30-6-2-10-38(22-30)94(56,75)76)70-53(69-49)65-35-15-19-43(47(27-35)99(87,88)89)59-33-13-17-41(45(25-33)97(81,82)83)42-18-14-34(26-46(42)98(84,85)86)60-44-20-16-36(28-48(44)100(90,91)92)66-54-71-51(63-31-7-3-11-39(23-31)95(57,77)78)68-52(72-54)64-32-8-4-12-40(24-32)96(58,79)80/h1-28,59-60H,(H2,55,73,74)(H2,56,75,76)(H2,57,77,78)(H2,58,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H3,61,62,65,67,69,70)(H3,63,64,66,68,71,72)

InChIKey

DEFYRJRFRILPHV-UHFFFAOYSA-N

Compound name

5-[4-[[4,6-bis(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-[4-[4-[[4,6-bis(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-sulfophenyl]benzenesulfonic acid

Related CIDs

• CID 16131823