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Substance Name: EINECS 252-677-9
RN: 35689-59-9
InChIKey: JZNAMZVXOYKVJJ-CVHRZJFOSA-N

Molecular Formula

  • C22-H24-N2-O8.x-C7-H6-O6-S

Molecular Weight

  • 662.622
 
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Names and Synonyms

Results Name

  • EINECS 252-677-9

Synonyms

  • EC 252-677-9
  • EINECS 252-677-9

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 35689-59-9

System Generated Number

  • 0035689599

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.x-C7-H6-O6-S

Molecular Formula Fragments

  • C22-H24-N2-O8
  • C7-H6-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.C7H6O6S/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;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1-3,8H,(H,9,10)(H,11,12,13)/t7-,10+,14+,15-,17-,22-;/m0./s1

InChIKey

JZNAMZVXOYKVJJ-CVHRZJFOSA-N

Smiles

C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O.OC(=O)c5cc(ccc5O)S(=O)(=O)O