(Q27286379)

English

1,3-naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt

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instance of

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chemical compound

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mass

830.0762946560002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₂₈N₄Na₂O₁₀S₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3C)C4=CC=C(C(=C4)C)N=NC5=C(C=CC6=C5C(=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

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isomeric SMILES

Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3ccc(-c4ccc(/N=N/c5c([O-])ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)O)c56)c(C)c4)cc3C)cc2)cc1.[Na+].[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;

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InChIKey

HNBQFKZSMFFZQY-UHFFFAOYSA-L

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(Q27286379)

1,3-naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt

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