Matches any text strings used to describe a molecule.
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 71 results

Search term: AURFZBICLPNKBZ (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83760

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.4935812061928
83761

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.493572191337
29132

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O2318.49355888421
198867

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O2318.4935496610
17216124

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O2318.49359888411
34979867

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1/i8D2,12D2,15D
C21H29D5O2323.52436700
389576

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17?,18?,19?,20?,21?/m1/s1
C21H34O2318.49356300
7994208

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O2318.49356900
8015733

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17?,18-,19-,20-,21+/m0/s1
C21H34O2318.49356400
34998277

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1/i1D3,17D
C21H30D4O2322.51816700
21470645

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16?,17?,18?,19?,20?,21?/m0/s1
C21H34O2318.49355400
21865711

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O2318.49355600
29133

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1
C21H34O2318.49355400
17466754

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16+,17-,18?,19?,20+,21-/m1/s1
C21H34O2318.49354100
8059175

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1
C21H34O2318.49354300
8886056

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m0/s1
C21H34O2318.49354400
10050369

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1
C21H34O2318.49353100
5036280

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-,21+/m0/s1
C21H34O2318.49353300
34998116

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1/i8D2,10D,15D/t10?,14-,15+,16-,17+,18-,19-,20-,21+
C21H30D4O2322.51813500
58784244

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1/i8D2,12D2,15D
C21H29D5O2323.52433600
1234

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