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 7 results

Search term: LPUQAYUQRXPFSQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
76943

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
C5H8NNaO4169.11109681097120638
8548

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1
C5H8NNaO4169.111094163012
176595

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m1./s1
C5H8NNaO4169.11109101200
8488759

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1
C5H9NNaO4170.11851100
8488760

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/t3-;/m0./s1
C5H9NNaO4170.11851100
110407758

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1;
13C5H8NNaO4174.07441100
110407759

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/i1D2,2D2,3D;
C5H3D5NNaO4174.14191100

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