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 14 results

Search term: YKJYKKNCCRKFSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
222267

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
C14H19NO4265.305908800
29260

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1
C14H19NO4265.3054036124641
2114

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3
C14H19NO4265.3052484600
5037107

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14-/m1/s1
C14H19NO4265.3057600
24755431

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12?,13-,14-/m0/s1
C14H19NO4265.3056300
5026872

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13-,14-/m0/s1
C14H19NO4265.3055500
1064973

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13-,14-/m1/s1
C14H19NO4265.3054200
5036657

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13-,14+/m0/s1
C14H19NO4265.3053300
10033583

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13+,14+/m1/s1
C14H20NO4266.31242200
82965973

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13?,14-/m0/s1
C14H19NO4265.3052100
10043719

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13-,14+/m1/s1
C14H19NO4265.3052100
10043720

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13-,14-/m1/s1
C14H20NO4266.31241100
10043721

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13+,14-/m1/s1
C14H20NO4266.31241100
10043718

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13-,14+/m1/s1
C14H20NO4266.31241100

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