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: NGEWQZIDQIYUNV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90190

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
C5H10O3118.13111211653861
745606

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
C5H10O3118.13119970710
4451486

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
C5H10O3118.1311826502
10688452

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1
C5H9O3117.12378161318
5323335

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t4-/m0/s1
C5H9O3117.123165400
5323336

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t4-/m1/s1
C5H9O3117.123163200
107447068

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1/i1D3,2D3,3D,4D
C5H2D8O3126.18042200
128917684

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/i1+1,2+1,3+1,4+1,5+1
13C5H10O3123.09441200
128917861

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/i1D3
C5H7D3O3121.14961100

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