Benzenesulfonic acid, 2,2′-[[2,4-diamino-5-[2-(4-methoxy-2-sulfophenyl)diazenyl]-1,3-phenylene]bis(2,1-diazenediyl)]bis[5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium salt (1:5)

910030-59-0

CAS Name

Benzenesulfonic acid, 2,2′-[[2,4-diamino-5-[2-(4-methoxy-2-sulfophenyl)diazenyl]-1,3-phenylene]bis(2,1-diazenediyl)]bis[5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium salt (1:5)

Molecular Formula

C₂₉H₃₀N₈O₂₂S₇.5Na

Other Names and Identifiers

InChI

InChI=1S/C29H30N8O22S7.5Na/c1-57-16-2-5-19(24(12-16)62(42,43)44)32-35-22-15-23(36-33-20-6-3-17(13-25(20)63(45,46)47)60(38,39)10-8-58-65(51,52)53)28(31)29(27(22)30)37-34-21-7-4-18(14-26(21)64(48,49)50)61(40,41)11-9-59-66(54,55)56;;;;;/h2-7,12-15H,8-11,30-31H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;

InChIKey

InChIKey=SHCBGXAHVWMDFM-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)O)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C1)C2=C(N)C(N=NC3=C(S(=O)(=O)O)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C3)=CC(N=NC4=C(S(=O)(=O)O)C=C(OC)C=C4)=C2N.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC2=CC(N=NC3=CC=C(OC)C=C3S(=O)(=O)O)=C(N)C(N=NC4=CC=C(C=C4S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)=C2N)C(=C1)S(=O)(=O)O

Other Names for this Substance