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CHEBI:39555 - 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:39555
ChEBI Name4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H26O3
Net Charge0
Average Mass362.469
Monoisotopic Mass362.18819
SMILES[H]OC(=O)c1c([H])c([H])c(/C([H])=C(\[H])C(=O)c2c([H])c([H])c3c(c2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15H,13-14H2,1-4H3,(H,26,27)/b12-7+
InChIKeyZXQHMEUGMCXKLO-KPKJPENVSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID (CHEBI:39555) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acidPDBeChem
4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACIDPDBeChem
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156PDBeChem