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Substance Name: Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)benzoate (1:1)
RN: 72906-23-1
InChIKey: SDHYIQSDUWLSTF-KUDVGGSMSA-M

Molecular Formula

  • C28-H31-N2-O3.C27-H21-N6-O8-S

Molecular Weight

  • 1033.13
 
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Names and Synonyms

  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)benzoate (1:1)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, salt with 2-hydroxy-5-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)benzoic acid (1:1)

Registry Numbers

CAS Registry Number

  • 72906-23-1

System Generated Number

  • 0072906231

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C27-H21-N6-O8-S

Molecular Formula Fragments

  • C27-H21-N6-O8-S
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31N2O3.C27H22N6O8S/c1-6-29-23-15-25-21(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;1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36/h9-16,29-30H,6-8H2,1-5H3;2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40)/q+1;/p-1/b;32-30+,33-31+

InChIKey

SDHYIQSDUWLSTF-KUDVGGSMSA-M

Smiles

N(c1ccc(cc1)\N=N\c1ccc(c(c1)C([O-])=O)O)C(Nc1c(cc(cc1)\N=N\c1cc(ccc1)S(O)(=O)=O)OC)=O.c1(c(cccc1)C(OCC)=O)c1c2cc(c(cc2[o+]c2c1cc(c(c2)NCC)C)NCC)C