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
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Single/Multi-component
Isotopically Labeled
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Found 32 results

Search term: MIAKOEWBCMPCQR (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87331

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12-/m1/s1
C12H17NO6271.2665564540
109350

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11+,12+/m1/s1
C12H17NO6271.26655648140
80037

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m1/s1
C12H17NO6271.2665514100
26324564

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12+/m1/s1
C12H17NO6271.2665312200
393005

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1
C12H17NO6271.2665191800
1622

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2
C12H17NO6271.2665121900
21436028

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10-,11?,12+/m1/s1
C12H17NO6271.26657800
21436031

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11?,12+/m0/s1
C12H17NO6271.26655400
24540335

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10-,11-,12+/m0/s1
C12H17NO6271.26653100
24540336

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11+,12-/m1/s1
C12H17NO6271.26653100
31043135

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10-,11+,12-/m0/s1
C12H17NO6271.26653100
62571660

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10-,11+,12+/m1/s1
C12H17NO6271.26652200
62571666

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11+,12-/m1/s1
C12H17NO6271.26652200
67174846

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10-,11-,12-/m1/s1
C12H17NO6271.26652200
21436030

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10-,11?,12-/m1/s1
C12H17NO6271.26652200
21211026

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10-,11-,12-/m0/s1
C12H17NO6271.26652300
23977334

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11?,12+/m1/s1
C12H17NO6271.26652100
122905539

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m0/s1
C12H17NO6271.26651100
128925652

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11+,12+/m1/s1
C12H17NO6271.26651100
128925653

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11?,12-/m0/s1
C12H17NO6271.26651100
12

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