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
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Found 4 results

Search term: KRDFNHLEMLCWKD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940806

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h6,9,14-15,17-21,23-25H,3-5,7-8,10-13,16H2,1-2H3/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
C22H38O5382.53418600
8468764

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h6,9,14-15,17-21,23-25H,3-5,7-8,10-13,16H2,1-2H3/b9-6-,15-14+/t17-,18+,19+,20?,21+/m0/s1
C22H38O5382.53412100
9058738

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h6,9,14-15,17-21,23-25H,3-5,7-8,10-13,16H2,1-2H3/b9-6-,15-14+/t17-,18-,19+,20-,21+/m0/s1
C22H38O5382.53412100
4320408

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h6,9,14-15,17-21,23-25H,3-5,7-8,10-13,16H2,1-2H3
C22H38O5382.534122100

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