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 9 results

Search term: FYEOMZSZJFOTGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2299104

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1
C22H28O3340.45592131300
68897580

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13+/t16-,17+,18+,20+,21+,22+/m1/s1
C22H28O3340.45594300
58818965

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
C22H28O3340.45593200
58782758

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1/i1+1,4+1,13+1
C1913C3H28O3343.43392200
21159713

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22-/m1/s1
C22H28O3340.45592200
29790189

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13+/t16-,17?,18?,20+,21+,22+/m1/s1
C22H28O3340.45591100
111314003

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13+/t16-,17+,18+,20+,21+,22+/m0/s1
C22H28O3340.45591100
111314408

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13+/t16-,17+,18+,20+,21+,22+/m0/s1/i1+1,4+1,13+1
C1913C3H28O3343.43391100

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