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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > ethyl nonactyl nonactate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > ethyl nonactyl nonactate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > ethyl nonactyl nonactate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > dicarboxylic acid > ethyl nonactyl nonactate

Preferred term

ethyl nonactyl nonactate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H38O7

inchi

  • InChI=1S/C22H38O7/c1-6-26-21(24)15(4)19-10-8-18(29-19)12-14(3)27-22(25)16(5)20-9-7-17(28-20)11-13(2)23/h13-20,23H,6-12H2,1-5H3/t13-,14+,15-,16+,17-,18+,19-,20+/m1/s1

inchikey

  • ZWKSCXUZDFPEQH-NPCDJYPASA-N

mass

  • 414.539

monoisotopicmass

  • 414.26175

smiles

  • O=C(O[C@H](C[C@H]1O[C@@H]([C@H](C(=O)OCC)C)CC1)C)[C@H]([C@H]2O[C@@H](C[C@H](O)C)CC2)C

subset

  • 2_STAR

synonym EXACT

  • [(2S)-1-[(2S,5R)-5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxolan-2-yl]propan-2-yl] (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206498

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