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 7 results

Search term: RQANBDIXNMIXPA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31046556

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24-/m0/s1
C24H32O4384.5085121100
9069565

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15?,16+,17-,19?,20?,21+,22-,23+,24-/m0/s1
C24H32O4384.50852100
13117385

3 of 11 defined stereocentres - 3/11 defined
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13?,14?,15?,16?,17?,19?,20?,21-,22+,23-,24?/m1/s1
C24H32O4384.50851100
58782714

10 of 11 defined stereocentres - 10/11 defined

Non-standard isotope
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24?/m0/s1/i5D2,8D2
C24H28D4O4388.53311100
107442324

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14-,15-,16+,17+,19+,20-,21+,22-,23+,24-/m0/s1
C24H32O4384.50851300
107443277

11 of 11 defined stereocentres - 11/11 defined

Non-standard isotope
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14-,15-,16+,17+,19+,20-,21+,22-,23+,24-/m0/s1/i5D2,8D2
C24H28D4O4388.53311100
114553532

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24-/m1/s1
C24H32O4384.50851100

Advertisement