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 49 results

Search term: CKLJMWTZIZZHCS (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5745


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
C4H7NO4133.10271685293106622254
75697

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
C4H7NO4133.10271553381634276
411


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
C4H7NO4133.1027152503107112239
17339995

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i5+1
C4H715NO4134.0961273600
24532033

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1D2,2D
C4H4D3NO4136.1212151801
8466291

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i4+1
C313CH7NO4134.0953141800
17345077

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C4H715NO4138.0667131700
21170280

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i2+1,5+1
C313CH715NO4135.0887131700
21170308

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i3+1
C313CH7NO4134.0953131900
17341133

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1+1
C313CH7NO4134.0953131800
17341162

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1
C313CH7NO4134.0953131600
17341163

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i3+1
C313CH7NO4134.0953121600
21170309

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
C4H4D3NO4136.1212121601
4573879

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1
C4H6NO4132.0953101560300
3714789

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2
C4H5NO4131.0868941492001284
32814824

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+2,2+2,3+2,4+2
14C4H7NO4141.072881100
49071386

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1
13C4H7NO4137.073381000
8504793

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i2D
C4H6DNO4134.10886800
8805888

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i2+1
C313CH7NO4134.09536700
4574046

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
C4H5NO4131.0879623491541274
123

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