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Substance Name: Barium abietate
RN: 66104-41-4
InChIKey: YOMHZOAZHYKTFZ-UHFFFAOYSA-L

Molecular Formula

  • C20-H30-O2.1/2Ba

Molecular Weight

  • 740.224
 
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Names and Synonyms

Results Name

  • Barium abietate

Synonym

  • EINECS 266-146-4

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, barium salt (2:1), (1R,4aR,4bR,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, barium salt, (1R,4aR,4bR,10aR)-
  • Barium abietate, technical

Registry Numbers

CAS Registry Number

  • 66104-41-4

Related Registry Number

  • 514-10-3 (Parent)

System Generated Number

  • 0066104414

Molecular Formulas

Molecular Formula

  • C20-H30-O2.1/2Ba

Molecular Formula Fragments

  • Ba
  • C20-H30-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H30O2.Ba/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*12-13,17H,5-11H2,1-4H3,(H,21,22);/q;;+2/p-2

InChIKey

YOMHZOAZHYKTFZ-UHFFFAOYSA-L

Smiles

C[C@@]12[C@@H](CCC3=C2CCC(=C3)C(C)C)[C@@](C(=O)[O-])(C)CCC1.[Ba+2].C[C@@]12[C@@H](CCC3=C2CCC(=C3)C(C)C)[C@@](C(=O)[O-])(C)CCC1