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 22 results

Search term: XNJHAZWZQGXOSC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65412

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1
C12H16N4O3264.2804191800
117948

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m0/s1
C12H16N4O3264.28046600
13386155

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)
C12H16N4O3264.280432200
24609809

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10+,11?/m1/s1
C12H16N4O3264.28043200
62426575

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10-,11+/m0/s1
C12H16N4O3264.28043300
62426576

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10-,11-/m0/s1
C12H16N4O3264.28042200
62426577

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11-/m1/s1
C12H16N4O3264.28042200
62426578

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10+,11-/m1/s1
C12H16N4O3264.28042200
62426579

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10+,11+/m1/s1
C12H16N4O3264.28042200
62426580

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10+,11+/m0/s1
C12H16N4O3264.28042200
62426581

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10+,11-/m0/s1
C12H16N4O3264.28042200
62426582

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11-/m0/s1
C12H16N4O3264.28042200
62426583

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10-,11-/m1/s1
C12H16N4O3264.28042200
62426584

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10-,11+/m1/s1
C12H16N4O3264.28042200
62426585

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10+,11-/m1/s1
C12H16N4O3264.28042200
62426586

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10+,11+/m1/s1
C12H16N4O3264.28042200
35033249

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6?,8?,10-,11+/m1/s1
C12H16N4O3264.28042200
62426573

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10+,11+/m0/s1
C12H16N4O3264.28042200
62426574

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8+,10+,11-/m0/s1
C12H16N4O3264.28042200
114394518

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10?,11?/m1/s1/i5T
C12H15TN4O3266.28851100
12

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