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 15 results

Search term: AYEXSTRNLGYBSQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91992

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1
C21H32O4348.4764272700
471314

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3
C21H32O4348.4764171700
17460110

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15-,16?,18-,19-,20-,21-/m0/s1
C21H32O4348.476410500
166222

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13?,14?,15-,16-,18+,19-,20-,21-/m0/s1
C21H32O4348.47649701
224752

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H32O4348.47648700
23010002

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
C21H32O4348.47646400
71299256

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15?,16?,18?,19+,20+,21+/m1/s1
C21H32O4348.47646500
22889268

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14?,15?,16?,18?,19?,20?,21-/m0/s1
C21H32O4348.47644300
1267799

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15+,16+,18-,19+,20+,21-/m1/s1
C21H32O4348.47642100
10044011

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
C21H32O4348.47642100
10044012

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15-,16+,18-,19-,20-,21-/m0/s1
C21H32O4348.47642100
57260280

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13?,14-,15+,16+,18-,19+,20+,21+/m1/s1
C21H32O4348.47642100
58817944

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19?,20?,21+/m1/s1
C21H32O4348.47641100
74849398

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13?,14-,15?,16?,18?,19?,20?,21+/m1/s1
C21H32O4348.47641200

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