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Substance Name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis((2-ethyl-6-methylphenyl)amino)-, inner salt
RN: 85610-13-5
InChIKey: NDYAQXHZOMZCCH-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C38-H34-N2-O3

Molecular Weight

  • 566.698
 
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Names and Synonyms

  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis((2-ethyl-6-methylphenyl)amino)-, inner salt

Registry Numbers

CAS Registry Number

  • 85610-13-5

System Generated Number

  • 0085610135

Structure Descriptors

InChI

1S/C38H34N2O3/c1-5-25-13-9-11-23(3)36(25)39-27-17-19-31-33(21-27)43-34-22-28(40-37-24(4)12-10-14-26(37)6-2)18-20-32(34)35(31)29-15-7-8-16-30(29)38(41)42/h7-22,39-40H,5-6H2,1-4H3

InChIKey

NDYAQXHZOMZCCH-UHFFFAOYSA-N

Smiles

c1c(Nc2c(cccc2CC)C)cc2c(c1)c(c1c(cccc1)C([O-])=O)c1c([o+]2)cc(Nc2c(cccc2C)CC)cc1