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 18 results

Search term: YJPIDPAGJSWWBE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59813

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
C22H28O5372.4547444000
2962645

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)
C22H28O5372.454726300
34997402

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19?,22+/m1/s1
C22H28O5372.45476600
10047298

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17+,18-,19-,22-/m0/s1
C22H28O5372.45474200
17461597

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16?,17?,18?,19?,22-/m0/s1
C22H28O5372.45474100
78076589

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m0/s1
C22H28O5372.45472200
1405948

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17+,18-,19+,22+/m0/s1
C22H28O5372.45472100
8537372

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16?,17?,18?,19-,22-/m0/s1
C22H28O5372.45472100
10047293

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17+,18+,19+,22+/m1/s1
C22H28O5372.45472100
10047295

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18-,19-,22-/m0/s1
C22H28O5372.45472100
10047296

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/p-1/t16-,17-,18+,19+,22+/m1/s1
C22H27O5371.44731100
10047297

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/p-1/t16-,17+,18-,19-,22-/m0/s1
C22H27O5371.44731100
10047294

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/p-1/t16-,17-,18-,19-,22-/m0/s1
C22H27O5371.44731100
10047292

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/p-1/t16-,17+,18+,19+,22+/m1/s1
C22H27O5371.44731100
1405947

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/p-1/t16-,17+,18-,19+,22+/m0/s1
C22H27O5371.44731100
128925026

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17+,18+,19+,22-/m1/s1
C22H28O5372.45471100
58817551

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22?/m1/s1
C22H28O5372.45471100

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