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 21 results

Search term: QDGZDCVAUDNJFG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
135679

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1
C12H15N5O3277.27921091161115
21210932

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m1/s1
C12H15N5O3277.2792482900
23630236

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8+/m0/s1
C12H15N5O3277.2792191600
10733850

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)
C12H15N5O3277.2792172700
148942

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7?,8-/m0/s1
C12H15N5O3277.279215116410
57373149

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8+/m0/s1
C12H15N5O3277.2792141100
57578361

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8-/m0/s1
C12H15N5O3277.2792111000
21240702

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8-/m1/s1
C12H15N5O3277.27929700
76920344

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i1D2
C12H13D2N5O3279.291571000
48061319

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8+/m0/s1/i10+1,11+1,14+1
C1013C2H15N415NO3280.25796500
48061357

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8?/m0/s1
C12H15N5O3277.27924400
57268431

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i10+1,11+1,14+1
C1013C2H15N415NO3280.25793500
58783454

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8?/m1/s1
C12H15N5O3277.27923600
60599213

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i1D2,4+1,14+1
C1113CH13D2N415NO3281.27763200
58783455

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8?/m1/s1
C12H15N5O3277.27922200
48061321

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8+/m1/s1
C12H15N5O3277.27922200
9812441

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i4+2
C1114CH15N5O3279.27172100
48061320

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/i1D2
C12H13D2N5O3279.29151100
114392600

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7?,8-/m0/s1/i1D2
C12H13D2N5O3279.29151100
114392936

1 of 3 defined stereocentres - 1/3 defined

Non-standard isotope
InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7?,8?/m0/s1/i10+1,11+1,14+1
C1013C2H15N415NO3280.25791100
12

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