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Substance Name: 4-Hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulphophenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic acid
RN: 94022-36-3
InChIKey: JIXKWIFUWFYHEF-CHQNLTHESA-N

Molecular Formula

  • C38-H28-N6-O16-S4

Molecular Weight

  • 952.9292
 
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Names and Synonyms

Synonym

  • EINECS 301-532-9

Systematic Name

  • 4-Hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulphophenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 94022-36-3

System Generated Number

  • 0094022363

Structure Descriptors

InChI

1S/C38H28N6O16S4/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/b43-41+,44-42+

InChIKey

JIXKWIFUWFYHEF-CHQNLTHESA-N

Smiles

COc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc7cc(ccc7c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O