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: NVEXGWVOAPQSMX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9489255

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20-,21+,22+/m1/s1
C22H28O4356.4553151900
27524379

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20+,21+,22+/m1/s1
C22H28O4356.4553141800
52563784

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16+,17-,19-,20-,21+,22-/m1/s1
C22H28O4356.45532700
58783746

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20+,21+,22+/m1/s1/i2D3
C22H25D3O4359.47382200
58783747

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20-,21+,22+/m1/s1/i2D3
C22H25D3O4359.47382400
107448749

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20?,21+,22+/m1/s1
C22H28O4356.45531100
111309410

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20+,21+,22?/m0/s1
C22H28O4356.45531100
29790204

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H28O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19-20,25H,5-10,12H2,2-3H3/t15-,16-,17-,19+,20+,21+,22?/m1/s1
C22H28O4356.45531100

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