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 18 results

Search term: WGYHVQYXJNPQAA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
220680

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
C21H32O3332.477332200
276669

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3
C21H32O3332.477131000
17461756

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14?,15?,16?,17?,18?,20-,21-/m0/s1
C21H32O3332.4774100
10047434

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17+,18+,20-,21-/m0/s1
C21H32O3332.4773200
10047436

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17+,18+,20-,21-/m0/s1
C21H32O3332.4773200
10068271

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17+,18+,20-,21+/m0/s1
C21H32O3332.4772100
10068272

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17-,18+,20-,21+/m0/s1
C21H32O3332.4772100
12520143

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14?,15?,16?,17?,18-,20+,21+/m1/s1
C21H32O3332.4772100
10047435

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17-,18+,20-,21-/m0/s1
C21H32O3332.4772100
417396

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1
C21H32O3332.4772200
794227

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17+,18-,20+,21-/m1/s1
C21H32O3332.4772100
794228

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16+,17-,18+,20-,21+/m0/s1
C21H32O3332.4772100
794229

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15+,16-,17+,18+,20+,21-/m1/s1
C21H32O3332.4772100
1180789

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16+,17+,18-,20+,21-/m1/s1
C21H32O3332.4772100
5416935

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16+,17-,18-,20-,21-/m0/s1
C21H32O3332.4772200
8910801

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1/i19+2
C2014CH32O3334.46952200
58816280

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20?,21?/m0/s1
C21H32O3332.4771100
78076578

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m1/s1
C21H32O3332.4771100

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