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
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Found 45 results

Search term: ZDXPYRJPNDTMRX (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5746


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
C5H10N2O3146.1445182439256021752
128633

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
C5H10N2O3146.14451501531897543
718


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
C5H10N2O3146.144513716469253031709
17341053

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1,7+1
C5H1015N2O3148.1313283100
9964025

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1
C5H10N15NO3147.1379212100
21170241

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i7+1
C5H10N15NO3147.1379182100
17345051

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H10N2O3151.1078161400
49071166

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i4+1
C413CH10N2O3147.1372151400
24532571

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
C5H5D5N2O3151.1753141410
17345079

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
13C5H1015N2O3153.0946111000
49071163

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i5+1
C413CH10N2O3147.137210900
49071164

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i3+1
C413CH10N2O3147.13725400
49071736

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i3+1,5+1
C313C2H10N2O3148.12985600
49072003

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i3+1,6+1
C413CH10N15NO3148.13064300
49072364

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1D2,2+1D2,3+1D,4+1,5+1,6+1,7+1
13C5H5D515N2O3158.12544600
57268015

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i3D
C5H9DN2O3147.15074300
60597024

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/i1D2,2D2,3D
C5H5D5N2O3151.17534200
49071165

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1
C413CH10N2O3147.13724300
4574289

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1
C5H11N2O3147.15193400
49072474

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i2+1
C413CH10N2O3147.13723300
123

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