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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 20 results

Search term: RCEFXZXHYFOPIE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34993527

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21-/m0/s1
C21H24N2O3352.42699900
4444716

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17+,18+,21?/m1/s1
C21H24N2O3352.426867600
28424246

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15-,17+,18+,21?/m1/s1
C21H24N2O3352.42696300
62954674

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15-,17-,18-,21-/m0/s1
C21H24N2O3352.42696500
71061450

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15?,17-,18-,21-/m0/s1
C21H24N2O3352.42694400
20123856

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21?/m0/s1
C21H24N2O3352.42694300
24708947

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15-,17-,18-,21?/m0/s1
C21H24N2O3352.42693300
519697

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3
C21H24N2O3352.42693200
4524010

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+
C21H24N2O3352.42693900
4952806

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15-,17+,18+,21-/m1/s1
C21H24N2O3352.42693200
13078155

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21+/m0/s1
C21H24N2O3352.42693300
71060669

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15?,17-,18-,21-/m0/s1
C21H24N2O3352.42692200
82964112

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/t15-,17+,18+,21?/m0/s1
C21H24N2O3352.42692100
113606376

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/t15?,17-,18-,21-/m0/s1
C21H24N2O3352.42692200
115040653

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17?,18-,21-/m0/s1
C21H24N2O3352.42691100
84393741

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15?,17?,18-,21-/m0/s1
C21H24N2O3352.42691100
81368866

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18?,21-/m0/s1
C21H24N2O3352.42691100
28283922

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15?,17-,18-,21?/m0/s1
C21H24N2O3352.42691100

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