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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: KYELXPJVGNZIGC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
141684

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
C27H41NO3427.6193434200
19989141

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22?,24?,25-,26+,27-/m0/s1
C27H41NO3427.6193111000
4478528

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3
C27H41NO3427.61933900
58783890

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25?,26+,27-/m0/s1
C27H41NO3427.61932200
68894601

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m1/s1
C27H41NO3427.61932100
78315614

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16-,17-,18-,20-,21+,22-,24-,25?,26+,27-/m0/s1
C27H41NO3427.61932200
82966037

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22?,24?,25-,26+,27-/m1/s1
C27H41NO3427.61932100
90636267

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27?/m0/s1
C27H41NO3427.61931100
111311188

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16-,17-,18-,20-,21+,22-,24-,25?,26+,27-/m1/s1
C27H41NO3427.61931100
113611304

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20+,21-,22+,24+,25+,26+,27+/m0/s1
C27H41NO3427.61931100
114392058

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18-,20+,21-,22?,24?,25-,26-,27-/m0/s1
C27H41NO3427.61931100
114393872

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16-,17+,18+,20+,21?,22+,24-,25-,26-,27-/m0/s1
C27H41NO3427.61931100
29787781

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16?,17-,18?,20-,21?,22?,24?,25-,26+,27-/m0/s1
C27H41NO3427.61931100

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