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 8 results

Search term: LEHFPXVYPMWYQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470691

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
C22H27ClF2O4428.8972272800
96316870

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14-,16+,17-,19-,20-,21+,22+/m0/s1
C22H27ClF2O4428.89722200
107442724

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22+/m0/s1/i9D2,17D
C22H24D3ClF2O4431.91571100
111309768

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14-,16+,17-,19-,20-,21+,22+/m1/s1
C22H27ClF2O4428.89721100
111311189

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m1/s1
C22H27ClF2O4428.89721100
114814012

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19+,20+,21+,22+/m0/s1
C22H27ClF2O4428.89721100
115010043

7 of 9 defined stereocentres - 7/9 defined

Non-standard isotope
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13?,14?,16-,17-,19-,20-,21-,22-/m0/s1/i9D2,17D
C22H24D3ClF2O4431.91571100
58785313

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17+,19-,20-,21-,22-/m0/s1/i9D2,17D
C22H24D3ClF2O4431.91571100

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