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 13 results

Search term: XRHIELLXTVJOKM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
158053

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20-/m0/s1
C20H22O9406.3833282600
26324586

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17+,20+/m1/s1
C20H22O9406.3833151400
28475223

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20-/m1/s1
C20H22O9406.38335200
35031819

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20?/m0/s1
C20H22O9406.38335500
8268263

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9?,14-,15-,16+,17-,20-/m0/s1
C20H22O9406.38335500
22378860

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)
C20H22O9406.38334300
23977001

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16+,17?,20+/m0/s1
C20H22O9406.38334200
78315978

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17+,20+/m0/s1
C20H22O9406.38332200
110416126

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9?,14-,15-,16+,17-,20-/m0/s1/i3D,4D,5D,6D,7D,8D
C20H16D6O9412.42032300
111308788

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15+,16?,17?,20+/m1/s1
C20H22O9406.38331100
113618692

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15-,16?,17?,20-/m0/s1
C20H22O9406.38331100
78429963

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17?,20+/m0/s1
C20H22O9406.38331100

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