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: PGTVWKLGGCQMBR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293511

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
C22H36O2332.52576300
34857

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16?,17+,18?,19?,20+,21-,22+/m0/s1
C22H36O2332.529600
10760744

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3
C22H36O2332.5273809
29272059

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17?,18-,19-,20+,21-,22+/m0/s1
C22H36O2332.527900
18750002

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15?,16-,17+,18-,19-,20+,21-,22+/m0/s1
C22H36O2332.525300
9712068

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,22-/m1/s1
C22H36O2332.524300
58111256

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16+,17-,18-,19+,20-,21+,22+/m1/s1
C22H36O2332.522200
58785625

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1/i2D3
C22H33D3O2335.53852400
107442929

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17-,18-,19?,20-,21-,22+/m0/s1
C22H36O2332.521400
110092728

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m1/s1
C22H36O2332.521100
111314443

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m1/s1/i2D3
C22H33D3O2335.53851100
113606490

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22+/m1/s1
C22H36O2332.521100
114814945

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16+,17?,18-,19-,20+,21+,22-/m0/s1
C22H36O2332.521100

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