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 17 results

Search term: FTBJKONNNSKOLX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59638

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1
C21H32O2316.4776385644
432418

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3
C21H32O2316.47769700
32698955

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20+,21-/m1/s1
C21H32O2316.47763400
32700580

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20+,21-/m0/s1
C21H32O2316.47763400
29787677

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17?,18+,19?,20-,21-/m0/s1
C21H32O2316.47762200
12559

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16?,17-,18?,19+,20?,21+/m1/s1
C21H32O2316.47762200
52563789

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17-,18+,19+,20-,21-/m0/s1
C21H32O2316.47761100
58784600

4 of 6 defined stereocentres - 4/6 defined

Non-standard isotope
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17?,18+,19?,20-,21-/m0/s1/i2D2,4D2
C21H28D4O2320.50221100
58816556

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20?,21-/m0/s1
C21H32O2316.47761100
64853898

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m1/s1
C21H32O2316.47761200
107441835

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1/i2D2,4D2
C21H28D4O2320.50221400
110805009

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20+,21+/m0/s1
C21H32O2316.47761100
111312148

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H32O2/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/h13,16-19,23H,3-12H2,1-2H3/t16-,17+,18+,19-,20-,21-/m1/s1/i2D2,4D2
C21H28D4O2320.50221100

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