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 15 results

Search term: VJGLIYQCQCELBZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460564

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,20-,21-/m0/s1
C21H31BrO3411.3734100
10046398

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18+,20-,21-/m0/s1
C21H31BrO3411.3733200
10046399

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1
C21H31BrO3411.3733200
10046400

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,18+,20-,21-/m0/s1
C21H31BrO3411.3733200
22902506

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15?,16?,17?,18-,20?,21?/m1/s1
C21H31BrO3411.3732100
62479267

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15+,16+,17-,18-,20-,21-/m1/s1
C21H31BrO3411.3732200
1387260

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,18-,20-,21-/m0/s1
C21H31BrO3411.3732100
2752016

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3
C21H31BrO3411.373042100
10046397

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,20-,21-/m0/s1
C21H31BrO3411.3732100
10510445

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18?,20-,21-/m0/s1
C21H31BrO3411.3731100
10510446

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15+,16-,17-,18?,20-,21-/m0/s1
C21H31BrO3411.3731100
10536354

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15+,16-,17?,18+,20-,21-/m0/s1
C21H31BrO3411.3731100
10588030

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,20-,21-/m0/s1
C21H31BrO3411.3731100
10588031

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18-,20+,21+/m1/s1
C21H31BrO3411.3731100
10588032

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15+,16-,17-,18+,20-,21-/m0/s1
C21H31BrO3411.3731100

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