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 9 results

Search term: HWXBTNAVRSUOJR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
42

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
C5H8O5148.114026320715461
388969

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
C5H8O5148.11459593712
388508

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
C5H8O5148.11456681513
3801152

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2
C5H6O5146.0981478020238
4573827

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
C5H6O5146.09925403
4573913

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1
C5H6O5146.09925402
107438809

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
13C5H8O5153.07733300
107437601

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/i1+1D2,2+1D2,3+1D,4+1,5+1,6D/hD2
13C5D8O5161.12662200
26333252

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-1
C5H7O5147.10661100

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