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 20 results

Search term: BJEPYKJPYRNKOW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
510


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
C4H6O5134.0874178290610032080
83793


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
C4H6O5134.087413221617266
193317


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
C4H6O5134.087413225610031573
24532689

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1D2,2D
C4H3D3O5137.1059141900
140981

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
C4H4O5132.07271356919798841
4573566

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
C4H4O5132.0727992826
24533491

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
C4H3D3O5137.105991200
48060181

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1
13C4H6O5138.05818900
49071373

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
C313CH6O5135.08016500
49071844

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1
C313CH6O5135.08016500
48060182

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
13C4H6O5138.05815700
4573567

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1
C4H4O5132.07275400
8255986

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i2+1,3+1
C213C2H6O5136.07272200
9128781

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1+1
C313CH6O5135.08012100
2991868

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-1
C4H5O5133.07952300
4450895

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1
C4H5O5133.07952100
67170375

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i/hD
C4H5DO5135.09361100

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