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: IWGVBEGLKWWMLK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23269767

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11+/t22-,26?,27?,28-,29-,31-/m1/s1
C31H52O5504.74163300
24823392

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11+/t22-,26-,27+,28-,29-,31-/m1/s1
C31H52O5504.74162200
8024730

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11-/t22-,26-,27+,28-,29-,31-/m1/s1
C31H52O5504.74162100
9960097

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11+/t22-,26?,27+,28-,29-,31-/m1/s1
C31H52O5504.74162100

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