4-Amino-3,6-bis[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid

754182-59-7

CAS Name

4-Amino-3,6-bis[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid

Molecular Formula

C₃₀H₃₃N₅O₂₃S₆

Molecular Mass

1023.99

Other Names and Identifiers

InChI

InChI=1S/C30H33N5O23S6/c1-53-18-13-22(59(37,38)7-5-57-63(47,48)49)20(55-3)11-16(18)32-34-28-24(61(41,42)43)9-15-10-25(62(44,45)46)29(30(36)26(15)27(28)31)35-33-17-12-21(56-4)23(14-19(17)54-2)60(39,40)8-6-58-64(50,51)52/h9-14,36H,5-8,31H2,1-4H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)

InChIKey

InChIKey=RNBSEHMMMXXPFO-UHFFFAOYSA-N

SMILES

NC=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(OC)C=C(S(CCOS(=O)(=O)O)(=O)=O)C(OC)=C3)=C2O)C=C(S(=O)(=O)O)C1N=NC4=C(OC)C=C(S(CCOS(=O)(=O)O)(=O)=O)C(OC)=C4

Canonical SMILES

O=S(=O)(O)OCCS(=O)(=O)C1=CC(OC)=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC=4C=C(OC)C(=CC4OC)S(=O)(=O)CCOS(=O)(=O)O)C3N)S(=O)(=O)O)C=C1OC

Other Names for this Substance