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Substance Name: (+)-(10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-diyl)ammonium hydrogen (S-(R*,R*))-2,3-bis(p-toluoyloxy)succinate
RN: 77099-06-0
InChIKey: WPQFSZXXIYOEJV-MOGJOVFKSA-N

Molecular Formula

  • C20-H18-O8.C16-H15-N

Molecular Weight

  • 607.6557
 
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Names and Synonyms

Synonym

  • EINECS 278-621-3

Systematic Name

  • (+)-(10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-diyl)ammonium hydrogen (S-(R*,R*))-2,3-bis(p-toluoyloxy)succinate

Registry Numbers

CAS Registry Number

  • 77099-06-0

System Generated Number

  • 0077099060

Molecular Formulas

Molecular Formula

  • C20-H18-O8.C16-H15-N

Molecular Formula Fragments

  • C16-H15-N
  • C20-H18-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18O8.C16H15N/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2-9,15,17H,10H2,1H3/t15-,16-;/m0./s1

InChIKey

WPQFSZXXIYOEJV-MOGJOVFKSA-N

Smiles

Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)[O-])OC(=O)c2ccc(cc2)C)C(=O)O.CC12c3ccccc3CC([NH2+]1)c4c2cccc4