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Concept information

Preferred term

phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]-  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H34O2

inchi

  • InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1

inchikey

  • ZWWRREXSUJTKNN-AEFFLSMTSA-N

mass

  • 318.501

monoisotopicmass

  • 318.25588

smiles

  • O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCC)(C)C)C=C2)[H]

subset

  • 2_STAR

synonym EXACT

  • 2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191114

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