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
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Found 27 results

Search term: XHCCPSKYYJBSAA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
193463

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18-,19-,20+,21-/m1/s1
C21H32O3332.477141100
9442591

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18-,19+,20-,21+/m0/s1
C21H32O3332.47710600
193462

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18+,19+,20-,21+/m0/s1
C21H32O3332.47710900
22871273

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17?,18-,19?,20+,21-/m1/s1
C21H32O3332.4778400
22875163

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17?,18+,19?,20-,21+/m0/s1
C21H32O3332.4777300
455113

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3
C21H32O3332.47771600
133924

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13?,15-,16+,17-,18-,19+,20-,21+/m0/s1
C21H32O3332.4773300
10049165

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17-,18-,19+,20+,21-/m1/s1
C21H32O3332.4772100
10049166

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17-,18-,19-,20+,21-/m1/s1
C21H32O3332.4772100
10050416

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18+,19-,20-,21+/m0/s1
C21H32O3332.4772100
10050417

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17+,18+,19-,20-,21+/m0/s1
C21H32O3332.4772100
10050418

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17+,18+,19+,20-,21+/m0/s1
C21H32O3332.4772100
1267615

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16-,17-,18-,19+,20-,21+/m0/s1
C21H32O3332.4772100
1267616

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17+,18+,19-,20+,21-/m1/s1
C21H32O3332.4772100
1408401

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17+,18+,19+,20+,21-/m1/s1
C21H32O3332.4772100
1408403

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H32O3332.4772100
1408404

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17-,18+,19-,20+,21-/m1/s1
C21H32O3332.4772100
1413005

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-,21+/m0/s1
C21H32O3332.4772100
1413006

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H32O3332.4772100
1413008

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16-,17+,18-,19+,20-,21+/m0/s1
C21H32O3332.4772100
12

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