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Substance Name: Benzenesulfonic acid, 2-(2-(5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, 1,1'-((1-methylethylidene)di-4,1-phenylene) ester, sodium salt (1:2)
RN: 72828-69-4
InChIKey: CPDIJYDRWVNRGQ-AWSLRNGBSA-L

Molecular Formula

  • C47-H42-N10-O12-S4.2Na

Molecular Weight

  • 1115.1666
 
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Names and Synonyms

Synonym

  • EINECS 276-882-8

Systematic Names

  • Benzenesulfonic acid, 2-((5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-, 1,1'-((1-methylethylidene)di-4,1-phenylene) ester, disodium salt
  • Benzenesulfonic acid, 2-(2-(5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, 1,1'-((1-methylethylidene)di-4,1-phenylene) ester, sodium salt (1:2)
  • Disodium 1,1'-isopropylidenedi-p-phenylene bis(2-((5-amino-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-5-yl)azo)benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 72828-69-4

System Generated Number

  • 0072828694

Molecular Formulas

Molecular Formula

  • C47-H42-N10-O12-S4.2Na

Molecular Formula Fragments

  • C47-H42-N10-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H46N10O12S4.2Na/c1-31-29-46(48,56(52-31)35-11-9-13-39(27-35)70(58,59)60)54-50-41-15-5-7-17-43(41)72(64,65)68-37-23-19-33(20-24-37)45(3,4)34-21-25-38(26-22-34)69-73(66,67)44-18-8-6-16-42(44)51-55-47(49)30-32(2)53-57(47)36-12-10-14-40(28-36)71(61,62)63;;/h5-30,52-53H,48-49H2,1-4H3,(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b54-50+,55-51+;;

InChIKey

CPDIJYDRWVNRGQ-AWSLRNGBSA-L

Smiles

CC1=CC(N(N1)c2cc(ccc2)S(=O)(=O)[O-])(/N=N/c3c(cccc3)S(=O)(=O)Oc4ccc(cc4)C(c5ccc(cc5)OS(=O)(=O)c6c(cccc6)/N=N/C7(N(NC(=C7)C)c8cc(ccc8)S(=O)(=O)[O-])N)(C)C)N.[Na+].[Na+]