(Q4073317)

English

4-amino-3-((4-aminophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulfonic acid

chemical compound

2,7-Naphthalenedisulfonic acid, 4-amino-3-[(4-aminophenyl)azo]-5-hydroxy-6-(phenylazo)-

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

542.067838916 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₁₈N₆O₇S₂

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canonical SMILES

Nc1ccc(cc1)/N=N/c2c(N)c4c(cc2S(O)(=O)=O)cc(c(/N=N/c3ccccc3)c4O)S(O)(=O)=O

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isomeric SMILES

Nc1ccc(cc1)/N=N/c2c(N)c4c(cc2S(O)(=O)=O)cc(c(/N=N/c3ccccc3)c4O)S(O)(=O)=O

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Identifiers

InChI

InChI=1S/C22H18N6O7S2/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35)/b27-26+,28-25+

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based on heuristic

inferred from SMILES

InChIKey

GBUZSOVDCZSPKS-JOSXGXAISA-N

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GBUZSOVDCZSPKS-UHFFFAOYSA-N

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CAS Registry Number

54291-12-2

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InChIKey

GBUZSOVDCZSPKS-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=54291-12-2

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID3041667

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Google Knowledge Graph ID

/g/1211jny8

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(Q4073317)

4-amino-3-((4-aminophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulfonic acid

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