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 11 results

Search term: DZHFTEDSQFPDPP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
189483

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
C5H6Na2O5192.07768504601
24589145

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m1../s1
C5H6Na2O5192.0777494200
32815420

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
C5H6Na2O5192.0777242400
48244775

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m1../s1/i1+1,2+1,3+1,4+1,5+1;;
13C5H6Na2O5197.0415500
28295708

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/i1D2,3D;;
C5H3D3Na2O5195.09625300
60497976

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/i1D2,3D,6D;;
C5H2D4Na2O5196.10232200
110144781

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/i1+1,2+1,3+1,5+1;;
C13C4H6Na2O5196.04831100
23621191

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1
C5H8Na2O5194.09251100
58782141

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m1../s1/i1D2,2D2,3D;;
C5HD5Na2O5197.10851100
58782184

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1/i1+1,2+1,3+1,4+1,5+1;;
13C5H6Na2O5197.0411100
58782611

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1/i1D2,2D2,3D;;
C5HD5Na2O5197.10851100

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