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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 22 results

Search term: UPTAPIKFKZGAGM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58998

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
C21H34O4350.4923485110
91971

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,19-,20-,21-/m0/s1
C21H34O4350.4923201800
91972

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1
C21H34O4350.4923131200
16735653

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H34O4350.4923111102
3354006

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3
C21H34O4350.49226103800
8017062

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15?,16?,17?,19+,20+,21+/m1/s1
C21H34O4350.49232100
8150788

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15?,16?,17?,19-,20-,21-/m0/s1
C21H34O4350.49232100
8558698

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13?,14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H34O4350.49232100
10148

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,19?,20?,21-/m0/s1
C21H34O4350.49232200
29788211

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16?,17+,19+,20+,21+/m1/s1
C21H34O4350.49232200
58785466

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16?,17+,19+,20+,21+/m1/s1/i5D2,11D2,14D
C21H29D5O4355.52312300
62532728

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19+,20+,21+/m1/s1
C21H34O4350.49232200
62581834

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,19-,20+,21-/m0/s1
C21H34O4350.49232200
62581835

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15+,16-,17+,19+,20+,21-/m0/s1
C21H34O4350.49232200
62683957

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,19+,20+,21-/m0/s1
C21H34O4350.49232200
78076029

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m0/s1/i5D2,11D2,14D
C21H29D5O4355.52311100
78076618

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m0/s1
C21H34O4350.49231100
78076626

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,19+,20+,21+/m0/s1
C21H34O4350.49231100
111309475

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16?,17+,19+,20+,21+/m0/s1
C21H34O4350.49231100
111314011

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,19-,20-,21-/m1/s1
C21H34O4350.49231100
12

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