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 17 results

Search term: LZSCQUCOIRGCEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17345992

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
C10H15N5O5285.2566889000
32821073

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i6+1;
C913CH15N5O5286.2493111100
32821074

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i2D2;
C10H13D2N5O5287.26896600
13396631

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2
C10H15N5O5285.25665100
17961239

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4?,5?,6-;/m1./s1
C10H15N5O5285.25663100
23977214

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5-,6-;/m1./s1
C10H15N5O5285.25663200
32681484

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4?,5-,6-;/m1./s1
C10H15N5O5285.25662100
77499144

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i1+1,2+1,4+1,5+1,6+1;
C513C5H15N5O5290.21992100
107442623

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i6D;
C10H14DN5O5286.26281300
107442624

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i1D2;
C10H13D2N5O5287.26891100
129153945

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1;
13C10H1515N5O5300.15021100
34978192

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6-;/m1./s1
C10H15N5O5285.25661100
58780791

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5-,6-;/m1./s1/i6D;
C10H14DN5O5286.26281100
58780996

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5-,6?;/m1./s1/i6+1;
C913CH15N5O5286.24931100
58781064

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5-,6-;/m1./s1/i1D2;
C10H13D2N5O5287.26891100
68026049

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m1./s1/i6+1;
C913CH15N5O5286.24931100
68027163

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m1./s1
C10H15N5O5285.25661100

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