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 5 results

Search term: XVMNSRXVKUOGOY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
134686

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13?,16-,17+,18+,19-,21+,22-/m0/s1
C22H31FO2346.47878800
396201

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1/i23-1
C22H3118FO2345.48134500
19987271

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
C22H31FO2346.47873200
397400

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13-,16?,17?,18?,19?,21?,22+/m1/s1/i23-1
C22H3118FO2345.48132200
8603177

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13-,16+,17?,18?,19?,21-,22+/m1/s1
C22H31FO2346.47872100

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