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Substance Name: EINECS 239-735-9
RN: 15664-14-9
InChIKey: LJVFKUGDFBQMIN-IZGCTLQUSA-N

Molecular Formula

  • C22-H24-N2-O8.x-H6-O18-P6

Molecular Weight

  • 924.311
 
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Names and Synonyms

Results Name

  • EINECS 239-735-9

Synonym

  • EINECS 239-735-9

Systematic Name

  • Metaphosphoric acid (H6P6O18), compd. with (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide

Registry Numbers

CAS Registry Number

  • 15664-14-9

System Generated Number

  • 0015664149

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.x-H6-O18-P6

Molecular Formula Fragments

  • C22-H24-N2-O8
  • COMPONENT
  • H6-O18-P6

Structure Descriptors

InChI

1S/C22H24N2O8.H6O18P6/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/t9-,10-,15-,21-,22-;/m0./s1

InChIKey

LJVFKUGDFBQMIN-IZGCTLQUSA-N

Smiles

C[C@@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O