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 80 results

Search term: IQFYYKKMVGJFEH (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5585


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
C10H14N2O5242.2286177558472471109
140081

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
C10H14N2O5242.22861031152400
2271988

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8-/m1/s1
C10H14N2O5242.22856413200
4435505

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8-/m0/s1
C10H14N2O5242.228564137472471108
65204

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7-,8-/m1/s1
C10H14N2O5242.2286284000
106495

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1T
C10H13TN2O5244.2367161600
145888

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i10+2
C914CH14N2O5244.2211142400
145904

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1+2
C914CH14N2O5244.2211121000
29272168

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1D3,3D
C10H10D4N2O5246.2532121400
397903

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6?,7-,8-/m1/s1
C10H14N2O5242.2286119472471106
118594

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i4+2
C914CH14N2O5244.2211111200
29272013

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1D3
C10H11D3N2O5245.247111700
23977499

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6?,7-,8-/m0/s1
C10H14N2O5242.228610500
142825

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1T3
C10H11T3N2O5248.2529101700
9152847

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i4+1
C913CH14N2O5243.221210900
428823

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7-,8-/m0/s1
C10H14N2O5242.2286101000
23630337

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7-,8-/m1/s1/i1D3
C10H11D3N2O5245.2479800
50645388

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2+1,4+1,6+1,7+1,8+1
C513C5H14N2O5247.19189900
50645506

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2+1
C913CH14N2O5243.221281100
52564209

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i6+1
C913CH14N2O5243.22128800
1234

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