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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
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Found 30 results

Search term: POZRVZJJTULAOH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26436


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
C22H27NO2337.45539711220964
2844

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3
C22H27NO2337.455318142700
4642416

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20-,21-,22-/m0/s1
C22H27NO2337.455314800
17346623

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20?,21?,22-/m0/s1
C22H27NO2337.455311500
10131780

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20?,21?,22+/m1/s1
C22H27NO2337.45536600
9591347

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22-/m1/s1
C22H27NO2337.45535500
5036136

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18-,20-,21-,22+/m0/s1
C22H27NO2337.45534300
17462709

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20-,21-,22+/m0/s1
C22H27NO2337.45534100
24541463

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18-,20+,21+,22-/m1/s1
C22H27NO2337.45534100
62546897

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m0/s1
C22H27NO2337.45534300
10043978

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18-,20-,21-,22-/m0/s1
C22H27NO2337.45533200
10043979

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18+,20+,21+,22+/m1/s1
C22H27NO2337.45533100
5036640

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20-,21-,22-/m0/s1
C22H27NO2337.45533300
5037007

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18-,20-,21+,22-/m0/s1
C22H27NO2337.45533300
580855

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18-,20+,21-,22+/m1/s1
C22H27NO2337.45533200
10043977

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18-,20-,21-,22-/m0/s1
C22H27NO2337.45532100
8172808

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17-,18-,20-,21-,22-/m0/s1
C22H27NO2337.45532100
10048368

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18-,20-,21-,22+/m0/s1
C22H27NO2337.45532100
10048369

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18+,20+,21+,22-/m1/s1
C22H27NO2337.45532100
58781146

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1/i1+1,4+1,13+1
C1913C3H27NO2340.43322500
12

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