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 7 results

Search term: XVDXBMQNQDUWHS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17465583

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/t15-,16?,17-,18-,20-,21?/m1/s1
C22H33NO5391.501110900
10049967

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/t15-,16-,17-,18-,20-,21-/m1/s1
C22H33NO5391.50112100
3036945

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3
C22H33NO5391.501122100
10049965

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/t15-,16-,17-,18-,20-,21+/m1/s1
C22H33NO5391.50112100
10049966

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/p+1/t15-,16-,17-,18-,20-,21-/m1/s1
C22H34NO5392.50851100
10049964

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H33NO5/c1-20-3-2-4-21(14-27-21)18(20)11-15-16(19(24)28-17(15)12-20)13-23-7-5-22(6-8-23)25-9-10-26-22/h15-18H,2-14H2,1H3/p+1/t15-,16-,17-,18-,20-,21+/m1/s1
C22H34NO5392.50851100

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