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Substance Name: Decyl hydrogen sulphate, compound with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide
RN: 24815-31-4
InChIKey: KFYPWILRUCAIKK-IFLJXUKPSA-N

Molecular Formula

  • C22-H24-N2-O9.x-C12-H26-O4-S

Molecular Weight

  • 726.836
 
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Names and Synonyms

Synonym

  • EINECS 246-472-3

Systematic Name

  • Decyl hydrogen sulphate, compound with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide

Registry Numbers

CAS Registry Number

  • 24815-31-4

System Generated Number

  • 0024815314

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O9.x-C12-H26-O4-S

Molecular Formula Fragments

  • C12-H26-O4-S
  • C22-H24-N2-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O9.C12H26O4S/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2-12H2,1H3,(H,13,14,15)/t12-,13-,14+,17+,21-,22+;/m1./s1

InChIKey

KFYPWILRUCAIKK-IFLJXUKPSA-N

Smiles

CCCCCCCCCCCCOS(=O)(=O)O.C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O