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 4 results

Search term: XBEXHWPCLKUYDD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8629031

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1-,14-11+/t17-,18+,20+,22-,23?/m0/s1
C24H29FO4400.48312100
23220489

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1-,14-11+/t17?,18?,20-,22+,23+/m1/s1
C24H29FO4400.48312200
23220546

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1-,14-11+/t17?,18?,20-,22-,23-/m0/s1
C24H29FO4400.48312200
34964075

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1+,14-11+/t17?,18?,20-,22-,23-/m0/s1
C24H29FO4400.48311100

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