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Substance Name: EINECS 275-879-9
RN: 71720-32-6
InChIKey: GQBCBKZTBXTQJS-CCHMMTNSSA-N

Molecular Formula

  • C22-H22-N2-O8.C12-H27-N-O3-S

Molecular Weight

  • 707.8371
 
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Names and Synonyms

Results Name

  • EINECS 275-879-9

Synonym

  • EINECS 275-879-9

Systematic Name

  • Sulfamic acid, dodecyl-, compd. with (4S-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide (1:1)

Registry Numbers

CAS Registry Number

  • 71720-32-6

System Generated Number

  • 0071720326

Molecular Formulas

Molecular Formula

  • C22-H22-N2-O8.C12-H27-N-O3-S

Molecular Formula Fragments

  • C12-H27-N-O3-S
  • C22-H22-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22N2O8.C12H27NO3S/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);13H,2-12H2,1H3,(H,14,15,16)/t10-,14-,15+,17+,22+;/m1./s1

InChIKey

GQBCBKZTBXTQJS-CCHMMTNSSA-N

Smiles

CCCCCCCCCCCCNS(=O)(=O)O.CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O