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Substance Name: EINECS 265-499-1
RN: 65138-66-1
InChIKey: BPGBVOLZONPXDK-NTKZCVEQSA-K

Molecular Formula

  • C28-H31-N2-O3.1/3C16-H9-N4-O9-S2

Molecular Weight

  • 1796.09
 
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Names and Synonyms

Results Name

  • EINECS 265-499-1

Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-, compd. with (benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester) (1:3)
  • EINECS 265-499-1

Systematic Names

  • 9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-((4-sulphophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(2-(4-sulfophenyl)diazenyl)-1H-pyrazole-3-carboxylate (3:1)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1)

Registry Numbers

CAS Registry Number

  • 65138-66-1

System Generated Number

  • 0065138661

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.1/3C16-H9-N4-O9-S2

Molecular Formula Fragments

  • C16-H9-N4-O9-S2
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/3C28H31N2O3.C16H12N4O9S2/c3*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h3*9-16,29-30H,6-8H2,1-5H3;1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/q3*+1;/p-3/b;;;18-17-

InChIKey

BPGBVOLZONPXDK-NTKZCVEQSA-K

Smiles

c1(C)c(cc2[o+]c3c(c(c4c(cccc4)C(OCC)=O)c2c1)cc(C)c(NCC)c3)NCC.C1([C@@H](\N=N/c2ccc(cc2)S([O-])(=O)=O)C(=NN1c1ccc(S([O-])(=O)=O)cc1)C([O-])=O)=O.c1(cc2c([o+]c3c(c2c2ccccc2C(OCC)=O)cc(c(NCC)c3)C)cc1NCC)C.c1(cc2c([o+]c3c(c2c2ccccc2C(OCC)=O)cc(c(NCC)c3)C)cc1NCC)C