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 23 results

Search term: KJADKKWYZYXHBB (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447672


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
C12H21NO8S339.36215018025273
23937276

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
C12H9D12NO8S351.436222400
5313

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)
C12H21NO8S339.36217143300
8840155

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m0/s1
C12H21NO8S339.3628600
13628439

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7?,8?,9-,12-/m0/s1
C12H21NO8S339.3628400
23161233

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8?,9+,12+/m1/s1
C12H21NO8S339.3626500
49071506

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i5+1,6+1,7+1,8+1,9+1,12+1
C613C6H21NO8S345.3186500
21112425

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9?,12+/m0/s1
C12H21NO8S339.3625225253
107441359

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12-/m1/s1
C12H21NO8S339.3624800
32741273

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1
C12H21NO8S339.3623100
21234306

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12-/m0/s1
C12H21NO8S339.3622100
64808944

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8+,9+,12+/m1/s1
C12H21NO8S339.3622200
76818908

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8+,9-,12+/m1/s1
C12H21NO8S339.3622200
111309084

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8?,9-,12+/m1/s1
C12H21NO8S339.3622200
113607308

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8+,9+,12+/m0/s1
C12H21NO8S339.3621100
114390134

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9-,12+/m0/s1
C12H21NO8S339.3621100
114815181

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8+,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
C12H9D12NO8S351.4361100
98606686

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8?,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
C12H9D12NO8S351.4361100
107450327

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i1+1,2+1,3+1,4+1,10+1,11+1
C613C6H21NO8S345.3181400
110101964

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9-,12+/m1/s1
C12H21NO8S339.3621100
12

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