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: QTHRPXQGSVSFOG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19665095

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H27NO5/c1-3-14(2)22(20(25)12-21(26)27)24-23(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22,25H,3,12-13H2,1-2H3,(H,24,28)(H,26,27)/t14-,20-,22-/m0/s1
C23H27NO5397.4642312500
3899928

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H27NO5/c1-3-14(2)22(20(25)12-21(26)27)24-23(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22,25H,3,12-13H2,1-2H3,(H,24,28)(H,26,27)
C23H27NO5397.46424200
26478342

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H27NO5/c1-3-14(2)22(20(25)12-21(26)27)24-23(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22,25H,3,12-13H2,1-2H3,(H,24,28)(H,26,27)/t14-,20-,22?/m0/s1
C23H27NO5397.46423100
107443838

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H27NO5/c1-3-14(2)22(20(25)12-21(26)27)24-23(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22,25H,3,12-13H2,1-2H3,(H,24,28)(H,26,27)/t14-,20?,22+/m0/s1
C23H27NO5397.46422200
2036898

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H27NO5/c1-3-14(2)22(20(25)12-21(26)27)24-23(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22,25H,3,12-13H2,1-2H3,(H,24,28)(H,26,27)/t14?,20-,22-/m0/s1
C23H27NO5397.464182200

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