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
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Found 29 results

Search term: PDMMFKSKQVNJMI (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5774

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
C22H32O3344.48771062407294531
5217

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3
C22H32O3344.4877194600
22875501

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19?,21-,22-/m0/s1
C22H32O3344.48777400
28424175

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16?,17?,18?,19-,21?,22?/m1/s1
C22H32O3344.48774100
580884

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19+,21-,22-/m0/s1
C22H32O3344.48774300
48063923

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1/i8D2,19D
C22H29D3O3347.50624600
1013345

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21+,22+/m0/s1
C22H32O3344.48773200
4937801

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16?,17?,18?,19-,21?,22?/m0/s1
C22H32O3344.48773400
10043755

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17+,18-,19-,21-,22+/m1/s1
C22H32O3344.48772100
10043756

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17+,18-,19+,21-,22+/m1/s1
C22H32O3344.48772100
10043757

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22+/m1/s1
C22H32O3344.48772100
10043758

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19+,21-,22+/m1/s1
C22H32O3344.48772100
645919

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17+,18+,19-,21-,22-/m0/s1
C22H32O3344.48772100
34998280

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1/i9D2,11D/t11?,16-,17-,18-,19-,21-,22-
C22H29D3O3347.50622300
58784820

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1/i1D3
C22H29D3O3347.50622300
107443181

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22?/m0/s1
C22H32O3344.48771100
111312113

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22?/m1/s1
C22H32O3344.48771100
111312119

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m1/s1/i8D2,19D
C22H29D3O3347.50621100
113597886

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19?,21-,22-/m1/s1
C22H32O3344.48771100
12

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