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Substance Name: 4-(Methyloctadecylamino)-3-((5,6,7,8-tetrahydro-1-hydroxy-2-naphthyl)carbamoyl)benzenesulphonic acid
RN: 2589-61-9
InChIKey: YCETZYXKHCVZDL-UHFFFAOYSA-N

Molecular Formula

  • C36-H56-N2-O5-S

Molecular Weight

  • 628.913
 
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Names and Synonyms

Synonym

  • EINECS 219-977-1

Systematic Names

  • 4-(Methyloctadecylamino)-3-((5,6,7,8-tetrahydro-1-hydroxy-2-naphthyl)carbamoyl)benzenesulphonic acid
  • Benzenesulfonic acid, 4-(methyloctadecylamino)-3-(((5,6,7,8-tetrahydro-1-hydroxy-2-naphthalenyl)carbonyl)amino)-
  • Benzenesulfonic acid, 4-(methyloctadecylamino)-3-(5,6,7,8-tetrahydro-1-hydroxy-2-naphthamido)-

Registry Numbers

CAS Registry Number

  • 2589-61-9

System Generated Number

  • 0002589619

Structure Descriptors

InChI

1S/C36H56N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-28-30(44(41,42)43)24-26-33(34)37-36(40)32-25-23-29-21-18-19-22-31(29)35(32)39/h23-26,28,39H,3-22,27H2,1-2H3,(H,37,40)(H,41,42,43)

InChIKey

YCETZYXKHCVZDL-UHFFFAOYSA-N

Smiles

S(c1cc(N(CCCCCCCCCCCCCCCCCC)C)c(NC(c2c(c3CCCCc3cc2)O)=O)cc1)(=O)(=O)O