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 16 results

Search term: XTAARPJDFFXHGH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12763

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1
C22H34O3346.50361832011
459375

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3
C22H34O3346.5036131000
19953907

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14?,16-,17-,18-,19-,21-,22-/m0/s1
C22H34O3346.50365781401
4933669

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16?,17?,18?,19-,21-,22-/m0/s1
C22H34O3346.50365400
77499044

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1/i8D2,19D
C22H31D3O3349.5224500
4933678

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16?,17?,18?,19-,21+,22+/m1/s1
C22H34O3346.50363300
4933687

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16?,17?,18?,19+,21+,22+/m1/s1
C22H34O3346.50363300
4933661

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16?,17?,18?,19+,21-,22-/m0/s1
C22H34O3346.50363300
10045883

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16+,17-,18+,19+,21-,22-/m0/s1
C22H34O3346.50362100
10045884

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16+,17-,18+,19-,21-,22-/m0/s1
C22H34O3346.50362100
10045885

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16+,17+,18+,19+,21-,22-/m0/s1
C22H34O3346.50362100
10045886

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16+,17+,18+,19-,21-,22-/m0/s1
C22H34O3346.50362100
58785641

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14?,16-,17-,18-,19-,21-,22-/m0/s1/i8D2,19D
C22H31D3O3349.5221100
62388064

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14-,16+,17-,18-,19-,21-,22-/m1/s1
C22H34O3346.50361100
107443182

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14?,16-,17-,18-,19-,21-,22?/m0/s1
C22H34O3346.50361100
111314396

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H34O3/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/h14,16-19H,4-13H2,1-3H3/t14?,16-,17-,18-,19-,21-,22?/m1/s1
C22H34O3346.50361100

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