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Substance Name: EINECS 307-111-6
RN: 97552-58-4
InChIKey: YMZDCZRNUUXGAN-IKYRIHQWSA-N

Molecular Formula

  • C15-H26-N2.1/2C10-H16-O4-S

Molecular Weight

  • 701.0672
 
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Names and Synonyms

Results Name

  • EINECS 307-111-6

Synonym

  • EINECS 307-111-6

Systematic Name

  • Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-,(1)-, compd. with (7S-(7alpha,7aalpha,14alpha,14abeta))-dodecahyd ro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine (1:2)

Registry Numbers

CAS Registry Number

  • 97552-58-4

System Generated Number

  • 0097552584

Molecular Formulas

Molecular Formula

  • C15-H26-N2.1/2C10-H16-O4-S

Molecular Formula Fragments

  • C10-H16-O4-S
  • C15-H26-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H26N2.C10H16O4S/c2*1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2*12-15H,1-11H2;7H,3-6H2,1-2H3,(H,12,13,14)/t2*12-,13+,14-,15-;/m11./s1

InChIKey

YMZDCZRNUUXGAN-IKYRIHQWSA-N

Smiles

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1CCN2C[C@@H]3C[C@@H]([C@H]2C1)CN4[C@@H]3CCCC4.C1CCN2C[C@@H]3C[C@@H]([C@H]2C1)CN4[C@@H]3CCCC4