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 21 results

Search term: JVTAAEKCZFNVCJ-DJZLQDOCDV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
592


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
C3H6O390.07791608984160654070
55423

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
C3H6O390.0779121238252177
96860


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
C3H6O390.0779120312160473193
82564

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
C3H5O389.07051441748676222411
4573803

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1
C3H5O389.0705912013
17341026

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1
13C3H6O393.055991000
4573814

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
C3H5O389.0705871956
9861628

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i1+1,2+1
C13C2H6O392.06327600
17345063

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i3+1
C213CH6O391.07066900
17341167

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i1+1
C213CH6O391.07065500
48244808

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i2+1
C213CH6O391.07065500
49071273

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i1D3
C3H3D3O393.09643300
45880603

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1/i1+1
C213CH6O391.07063300
7988507

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i1+1,2+1,3+1
13C3H6O393.05593200
8329511

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i1+1
C213CH6O391.07062100
8373128

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i3+1
C213CH6O391.07062100
9426991

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i2D
C3H5DO391.08412100
396919

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i3-1
C211CH6O389.07872200
396926

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/i1-1
C211CH6O389.07872200
114779737

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1/i2+1
C213CH6O391.07061100
12

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