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 18 results

Search term: SIGSPDASOTUPFS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2298532

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
C21H26O2310.429995125330
109107957

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D
C21H20D6O2316.466991000
58785694

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19?,20-,21-/m0/s1/i5D2,6D2,13D,16D
C21H20D6O2316.46696700
77499198

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18+,19+,20-,21?/m0/s1
C21H26O2310.42993200
1361480

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18-,19+,20-,21-/m0/s1
C21H26O2310.42992100
95601987

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i23D
C21H25DO2311.43611100
107451207

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19?,20-,21-/m0/s1/i2D,5D2,6D2,13D,16D
C21H19D7O2317.47311400
111312202

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18+,19+,20-,21?/m1/s1
C21H26O2310.42991100
111312211

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19?,20-,21-/m1/s1
C21H26O2310.42991100
113064138

4 of 6 defined stereocentres - 4/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17-,18+,19?,20-,21-/m0/s1/i5D2,6D2,13D,16D
C21H20D6O2316.46691100
113608256

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18-,19+,20+,21-/m0/s1
C21H26O2310.42991100
114390064

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18+,19+,20-,21+/m0/s1
C21H26O2310.42991100
114391596

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17-,18-,19+,20+,21+/m1/s1
C21H26O2310.42991100
114816135

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19+,20-,21+/m0/s1
C21H26O2310.42991100
114936797

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i16D
C21H25DO2311.43611100

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