2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-, potassium sodium salt

83221-51-6

CAS Name

2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-, potassium sodium salt

Molecular Formula

C₄₅H₃₂N₁₀O₂₁S₆.xK.xNa

Other Names and Identifiers

InChI

InChI=1S/C45H32N10O21S6.K.Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;

InChIKey

InChIKey=OPFGKQDQZDPCRD-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(S(=O)(=O)O)C=C(N=NC4=CC=C(S(=O)(=O)O)C=C4)C=C3)C=C(NC(NC5=CC6=C(C=C5)C(O)=C(N=NC7=C(S(=O)(=O)O)C=C(N=NC8=CC=C(S(=O)(=O)O)C=C8)C=C7)C(S(=O)(=O)O)=C6)=O)C=C2.[K].[Na]

Canonical SMILES

[Na].[K].O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)O)C=C3S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)NC=5C=CC6=C(O)C(N=NC7=CC=C(N=NC8=CC=C(C=C8)S(=O)(=O)O)C=C7S(=O)(=O)O)=C(C=C6C5)S(=O)(=O)O

Other Names for this Substance