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Substance Name: Chromate(1-), bis(3-(5,5-dimethyl-3-octadecyl-2-thiazolidinyl)-4-hydroxy-N-(2-(((3-(hydroxy-kappaO)-4-(((2-(hydroxy-kappaO)phenyl)methylene)amino-kappaN)phenyl)sulfonyl)amino)ethyl)benzenesulfonamidato(2-))-, hydrogen (1:1)
RN: 1079350-90-5
InChIKey: YOWVJCPZWKMNSP-PNHZECJRSA-K

Classification Code

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

Molecular Formula

  • C88-H128-Cr-N8-O14-S6.H

Molecular Weight

  • 1767.4211
 
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Names and Synonyms

  • Chromate(1-), bis(3-(5,5-dimethyl-3-octadecyl-2-thiazolidinyl)-4-hydroxy-N-(2-(((3-(hydroxy-kappaO)-4-(((2-(hydroxy-kappaO)phenyl)methylene)amino-kappaN)phenyl)sulfonyl)amino)ethyl)benzenesulfonamidato(2-))-, hydrogen (1:1)

Registry Numbers

CAS Registry Number

  • 1079350-90-5

System Generated Number

  • 1079350905

Structure Descriptors

InChI

1S/2C44H66N4O7S3.Cr/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-42-44(2,3)56-43(48-42)37-31-35(26-28-40(37)50)57(52,53)46-29-30-47-58(54,55)36-25-27-38(41(51)32-36)45-33-34-22-20-21-23-39(34)49;/h2*20-23,25-28,31-33,42-43,46-51H,4-19,24,29-30H2,1-3H3;/q;;+3/p-3/b2*45-33+;

InChIKey

YOWVJCPZWKMNSP-PNHZECJRSA-K

Smiles

CCCCCCCCCCCCCCCCCCC1NC(SC1(C)C)c2cc3ccc2O[Cr-]4(Oc5ccc(cc5C6NC(CCCCCCCCCCCCCCCCCC)C(C)(C)S6)S(=O)(=O)NCCNS(=O)(=O)c7ccc(\N=C\c8ccccc8O)c(O4)c7)Oc9cc(ccc9\N=C\c%10ccccc%10O)S(=O)(=O)NCCNS3(=O)=O