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 40 results

Search term: AYFVYJQAPQTCCC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6051


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
C4H9NO3119.119217714645269072564
200

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
C4H9NO3119.1192137343268662035
89699

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
C4H9NO3119.11921341707953
81824

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
C4H9NO3119.11921331102014
62643

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
C4H9NO3119.11921311836849
17345098

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i5+1
C4H915NO3120.1126222800
9943238

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2?,3-/m0/s1
C4H9NO3119.1192172401
17345048

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i4+1
C313CH9NO3120.1118101300
17345076

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i1+1,2+1,3+1,4+1,5+1
13C4H915NO3124.0832101100
4911523

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2?,3-/m1/s1
C4H9NO3119.1192989945
24532173

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i2D,3D
C4H7D2NO3121.131581300
26341940

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3?/m0/s1
C4H9NO3119.11928800
49072886

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i1D3,2D,3D
C4H4D5NO3124.156600
34445895

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3?/m1/s1
C4H9NO3119.11925800
107446755

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3?/m1/s1/i5+1
C4H915NO3120.11264700
4574246

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1
C4H8NO3118.11184402
49071554

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i3+1,4+1
C213C2H9NO3121.10454400
4574243

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m0/s1
C4H8NO3118.11183300
128935127

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i1+1,2+1,3+1,4+1
13C4H9NO3123.08983300
48244749

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i1+1D3,2+1D,3+1D,4+1,5+1
13C4H4D515NO3129.1143500
12

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