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
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Found 37 results

Search term: CKTSBUTUHBMZGZ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13117

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
C9H13N3O4227.217214517192575143
140145

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
C9H13N3O4227.2172524600
617

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)
C9H13N3O4227.21724526300
399458

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8-/m1/s1
C9H13N3O4227.2172281400
397959

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m1/s1
C9H13N3O4227.2172171300
1029452

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8-/m0/s1
C9H13N3O4227.217210700
21112476

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5?,6-,8-/m1/s1
C9H13N3O4227.21721072548140
23076092

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6?,8+/m0/s1
C9H13N3O4227.21726415
599908

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m0/s1
C9H13N3O4227.21725300
5028099

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8+/m0/s1
C9H13N3O4227.21723200
27474446

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5?,6-,8-/m0/s1
C9H13N3O4227.21723200
62874172

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i1D,2D
C9H11D2N3O4229.22953200
77498940

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i3+1
C813CH13N3O4228.20993400
77498985

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i9+1,11+1,12+1
C813CH13N15N2O4230.19673400
107445664

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i3D2
C9H11D2N3O4229.22953300
2976829

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/p+1
C9H14N3O4228.225162200
91325472

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8?/m1/s1
C9H13N3O4227.21722100
8808451

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i3D/t3-,5+,6-,8-/m1
C9H12DN3O4228.22342100
9064948

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i5+1,6+1
C713C2H13N3O4229.20252200
9416684

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1/i11+1
C9H13N215NO4228.21062200
12

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