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 15 results

Search term: OTCCIMWXFLJLIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58576


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
C6H9NO5175.13941243066253
88007

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
C6H9NO5175.139410212210457
677387

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m1/s1
C6H9NO5175.1394231801
24533288

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/i2D2,4D
C6H6D3NO5178.1578101700
3426716

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2
C6H7NO5173.123487919478
26323926

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i1D3
C6H6D3NO5178.15786800
1539206

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1
C6H7NO5173.12465510519
49071276

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i2D2,4D
C6H6D3NO5178.15785400
49071507

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i2+1,4+1,5+1,6+1
C213C4H9NO5179.114400
45848833

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i7+1
C6H915NO5176.13283300
21238987

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-1/t4-/m1/s1
C6H8NO5174.1322100
98645527

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i3+1
C513CH9NO5176.1322200
73993285

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/i2D,4D/hD/t2?,4-
C6H6D3NO5178.15781100
5315366

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m1/s1
C6H7NO5173.123481100

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