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 66 results

Search term: DRTQHJPVMGBUCF (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5807


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
C9H12N2O6244.2014151379132551300
17305

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1
C9H12N2O6244.201465931120
1144

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)
C9H12N2O6244.201454446300
409970

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m0/s1
C9H12N2O6244.2014394600
24600266

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8+/m1/s1
C9H12N2O6244.2014313900
144782

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1T
C9H11TN2O6246.2095142100
19951537

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8?/m1/s1
C9H12N2O6244.201411121150
23992801

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7?,8-/m1/s1
C9H12N2O6244.201491200
5415645

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7-,8-/m0/s1
C9H12N2O6244.201491300
9921747

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1D,3+1,4+1,6+1,7+1,8+1
C413C5H11DN2O6250.17087800
148881

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m0/s1
C9H12N2O6244.20147800
23977058

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7?,8-/m1/s1/i1D,2D
C9H10D2N2O6246.21377700
29361933

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i9+2
C814CH12N2O6246.19397800
31047369

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1D,2D
C9H10D2N2O6246.21376600
9239771

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7-,8-/m1/s1
C9H12N2O6244.20146900
52564210

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i6+1
C813CH12N2O6245.1946700
52564211

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i3+1
C813CH12N2O6245.1945600
10394623

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8+/m0/s1
C9H12N2O6244.20145600
133767

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1T,2T
C9H10T2N2O6248.21765600
52563116

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i7+1
C813CH12N2O6245.1945600
1234

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