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: PFJDJYAPRBPXLV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943688

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H38O8/c1-6-21(5,27)11-7-8-13(2)9-10-15(20(3,4)26)29-19-18(25)17(24)16(23)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15?,16-,17+,18-,19+,21?/m1/s1
C21H38O8418.521612800
10258746

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H38O8/c1-6-21(5,27)11-7-8-13(2)9-10-15(20(3,4)26)29-19-18(25)17(24)16(23)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15+,16-,17+,18-,19+,21?/m1/s1
C21H38O8418.52162200
10258749

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H38O8/c1-6-21(5,27)11-7-8-13(2)9-10-15(20(3,4)26)29-19-18(25)17(24)16(23)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15-,16-,17+,18-,19+,21?/m1/s1
C21H38O8418.52162200
17245278

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H38O8/c1-6-21(5,27)11-7-8-13(2)9-10-15(20(3,4)26)29-19-18(25)17(24)16(23)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15-,16-,17+,18-,19+,21-/m1/s1
C21H38O8418.52162200

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