Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 5 results

Search term: BTJROEGVRQVIDB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9999303

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6+/t12-,14+,15-,17-,19+,20-/m1/s1
C20H28O6364.43278701
9243656

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6+/t12-,14+,15-,17-,19-,20-/m1/s1
C20H28O6364.43275400
9254173

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6+/t12-,14+,15-,17+,19-,20-/m1/s1
C20H28O6364.43275400
8492178

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6-/t12-,14-,15-,17+,19-,20+/m0/s1
C20H28O6364.43272100
552667

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3
C20H28O6364.43271100

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