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 8 results

Search term: UCTCCIPCJZKWEZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28189076

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)
C23H31N3O365.5117283300
29341715

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23?/i1D3,2D2,3D2,6D2
C23H22D9N3O374.56726700
29341716

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23?
C23H31N3O365.51174900
44236182

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23-
C23H31N3O365.51171100
107442861

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17+,18-,23?/i1D3,2D2,3D2,6D2,9D2
C23H20D11N3O376.57951100
107451508

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/i1D3,2D2,3D2,6D2
C23H22D9N3O374.56721100
123962593

1 of 4 defined stereocentres - 1/4 defined

Non-standard isotope
InChI=1/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)/t16-,17?,18?,23?/i1D3,2D2,3D2,6D2
C23H22D9N3O374.56721100

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