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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 19 results

Search term: LQANGKSBLPMBTJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24719087

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
C21H34O4350.49233411300
17346621

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20?/m0/s1
C21H34O4350.4923131100
23110444

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16?,17-,18-,19+,20?/m0/s1
C21H34O4350.49239800
4510293

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+
C21H34O4350.492391000
4939452

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18?,19+,20+/m1/s1
C21H34O4350.49236500
4470971

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20+/m0/s1
C21H34O4350.492265400
5416

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
C21H34O4350.49234300
32821942

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12-/t16-,17-,18-,19+,20+/m0/s1
C21H34O4350.49234300
35294736

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17+,18+,19-,20-/m1/s1
C21H34O4350.49234200
65321403

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12u/t16-,17+,18+,19-,20-/m1/s1
C21H34O4350.49234200
78221312

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m0/s1
C21H34O4350.49233200
5042520

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/t16-,17+,18+,19-,20-/m1/s1
C21H34O4350.49233200
8060463

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m0/s1
C21H34O4350.49232100
57578288

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12u/t16?,17-,18-,19+,20?/m0/s1
C21H34O4350.49232100
78430797

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4u,13-12+/t16-,17+,18+,19-,20-/m1/s1
C21H34O4350.49231100

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