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 35 results

Search term: XUJNEKJLAYXESH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5653


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
C3H7NO2S121.158217330575620235553
574


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
C3H7NO2S121.1582161677625325607
83819

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
C3H7NO2S121.158213423222286
48059319

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i3+1
C213CH7NO2S122.1508171500
8549908

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
13C3H715NO2S125.1296131200
49071152

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i4+1
C3H715NO2S122.1516121100
45848823

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1D2,2D,4+1
C3H4D315NO2S125.170181000
107446754

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1D2
C3H5D2NO2S123.17056600
57267165

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1
13C3H7NO2S124.13616400
32819748

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i7+3
C3H7NO235S124.06226600
4574364

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1
C3H6NO2S120.1508512461172
8466262

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i7+3
C3H7NO235S124.06224300
48059320

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i1+1
C213CH7NO2S122.15084400
58823716

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i1D2
C3H5D2NO2S123.17054400
49073048

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1D2,2D
C3H4D3NO2S124.17674400
48244760

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i1+1D2,2+1D,3+1,4+1
13C3H4D315NO2S128.1483500
4574363

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2
C3H5NO2S119.14343300
4574368

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1
C3H8NO2S122.16563300
4574370

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1
C3H6NO2S120.15083421833
8373176

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i3+1
C213CH7NO2S122.15082100
12

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