Glycine, N-[3-amino-4-[[7-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, pentasodium salt

CAS Name

Glycine, N-[3-amino-4-[[7-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, pentasodium salt

Molecular Formula

C₄₈H₃₉N₁₃O₁₅S₃.5Na

Other Names and Identifiers

InChI

InChI=1S/C48H39N13O15S3.5Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)58-55-30-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-30)60-54-27-7-5-26(6-8-27)53-39-14-11-32(21-40(39)77(68,69)70)57-61-46-42(79(74,75)76)16-25-2-4-31(18-34(25)48(46)67)56-59-38-13-10-29(20-36(38)50)52-23-44(64)65;;;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;

InChIKey

InChIKey=DKWTZIXTSZKXQH-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC(S(=O)(=O)O)=C(NC4=CC=C(N=NC=5C(S(=O)(=O)O)=CC6=C(C5O)C=C(N=NC7=C(N)C=C(NCC(O)=O)C=C7)C=C6)C=C4)C=C3)C=CC(N=NC8=C(N)C=C(NCC(O)=O)C=C8)=C2.[Na]

Canonical SMILES

[Na].O=C(O)CNC1=CC=C(N=NC=2C=CC3=CC(=C(N=NC4=CC=C(C=C4)NC5=CC=C(N=NC=6C(O)=C7C=C(N=NC8=CC=C(C=C8N)NCC(=O)O)C=CC7=CC6S(=O)(=O)O)C=C5S(=O)(=O)O)C(O)=C3C2)S(=O)(=O)O)C(N)=C1

Other Names for this Substance