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: ZEBMMHUDQRRILP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390323

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.5803191200
21468837

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.58039900
84006

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3
C25H39NO6449.58035100
21781476

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16+,17+,18?,19+,20?,21+,22-,23+,24+,25-/m1/s1
C25H39NO6449.58034200
5145994

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16+,17?,18?,19+,20?,21+,22-,23+,24+,25?/m1/s1
C25H39NO6449.58033300
4884537

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21?,22?,23+,24+,25-/m1/s1
C25H39NO6449.58032200
5036622

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+/m0/s1
C25H39NO6449.58032200
30810481

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14?,15-,16?,17+,18+,19-,20-,21-,22+,23+,24+,25+/m0/s1
C25H39NO6449.58032300
58824012

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16-,17?,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.58032400
88297382

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24+,25+/m1/s1
C25H39NO6449.58032100
113598617

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24+,25-/m0/s1
C25H39NO6449.58031100
113613575

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14?,15-,16?,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.58031100
82827617

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24+,25+/m1/s1
C25H39NO6449.58031100
23219146

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16?,17+,18?,19+,20?,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.58031100
30650626

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16?,17?,18?,19?,20?,21?,22?,23+,24+,25-/m1/s1
C25H39NO6449.58031100
3499959

Charge

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/p+1
C25H40NO6450.58821100
21470726

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18+,19+,20?,21+,22?,23+,24+,25-/m1/s1
C25H39NO6449.58031100

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