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: BJFGVYCULWBXKF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2615

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)
C5H11ClHgN2O2367.196332351189
5884

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1
C5H11ClHgN2O2367.196045700
168328

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1+2/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)/i7+2
C5H11Cl203HgN2O2369.57893400
10128643

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1-4/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)/i7-4
C5H11Cl197HgN2O2363.57322200
32700185

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1-4/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/i6-4;
C5H11Cl197HgN2O2363.57322400
34988462

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m1./s1
C5H11ClHgN2O2367.1962300
34988463

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m0../s1/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m0./s1
C5H11ClHgN2O2367.1962300
34991139

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1/i;;1-4/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m1./s1/i6-4;
C5H11Cl197HgN2O2363.57321100
34991140

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m0../s1/i;;1-4/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m0./s1/i6-4;
C5H11Cl197HgN2O2363.57321100
34991738

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1/i;;1+2/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m1./s1/i6+2;
C5H11Cl203HgN2O2369.57891100
34991739

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m0../s1/i;;1+2/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/t4-;/m0./s1/i6+2;
C5H11Cl203HgN2O2369.57891100
128706710

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1+3/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)/i7+3
C5H11Cl204HgN2O2370.57951100
32700022

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1+2/rC5H11HgN2O2.ClH/c1-10-4(2-6)3-8-5(7)9;/h4H,2-3H2,1H3,(H3,7,8,9);1H/q+1;/p-1/i6+2;
C5H11Cl203HgN2O2369.57891300
2614

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)/p+1
C5H12ClHgN2O2368.20341200

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