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 77 results

Search term: C5H12N4O3 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388342


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
C5H12N4O3176.17385725600
269

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)
C5H12N4O3176.17384833803
393563

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
C5H12N4O3176.1738374100
2503833

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)
C5H12N4O3176.1738121000
193213

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m1/s1
C5H12N4O3176.17386400
8854195
InChI=1/C5H12N4O3/c6-9-5(7-1-2-10)8-3-4(11)12/h10H,1-3,6H2,(H,11,12)(H2,7,8,9)
C5H12N4O3176.17384300
26491262
InChI=1/C5H12N4O3/c1-2-3-8(9(11)12)4-7-5(6)10/h2-4H2,1H3,(H3,6,7,10)
C5H12N4O3176.17384200
23329216

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-4(7)9-5(12)8-1-3(11)2-10/h3,10-11H,1-2H2,(H5,6,7,8,9,12)/t3-/m0/s1
C5H12N4O3176.17383200
61034730

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H12N4O3/c1-2(4(11)8-6)3(10)5(12)9-7/h2-3,10H,6-7H2,1H3,(H,8,11)(H,9,12)
C5H12N4O3176.17382200
62916475

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-3(2-10)5(12)8-1-4(11)9-7/h3,10H,1-2,6-7H2,(H,8,12)(H,9,11)/t3-/m0/s1
C5H12N4O3176.17382100
40885856
InChI=1/C5H12N4O3/c6-4(9-11)3-8-1-2-12-5(7)10/h8,11H,1-3H2,(H2,6,9)(H2,7,10)
C5H12N4O3176.17382200
60815388
InChI=1/C5H12N4O3/c1-2-12-3-7-4(10)8-5(11)9-6/h2-3,6H2,1H3,(H3,7,8,9,10,11)
C5H12N4O3176.17382200
10163274

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12N4O3/c6-5(7)8-2-1-3(9-12)4(10)11/h3,9,12H,1-2H2,(H,10,11)(H4,6,7,8)/t3-/m0/s1
C5H12N4O3176.17382100
2552049
InChI=1/C5H12N4O3/c6-5(7-9(10)11)8-1-3-12-4-2-8/h10-11H,1-4H2,(H2,6,7)
C5H12N4O3176.17382100
2889833
InChI=1/C5H12N4O3/c10-4-3-8-2-1-6-5(8)7-9(11)12/h10-12H,1-4H2,(H,6,7)
C5H12N4O3176.173782100
61027053

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H12N4O3/c1-11-4-6-3(8-9-4)7-5(10)12-2/h3-4,6,8-9H,1-2H3,(H,7,10)
C5H12N4O3176.17381100
55010917
InChI=1/C5H12N4O3/c6-4(10)3-12-2-1-8-5(11)9-7/h1-3,7H2,(H2,6,10)(H2,8,9,11)
C5H12N4O3176.17381100
74909434

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H12N4O3/c6-4(7)9-5(12)8-1-3(11)2-10/h3,10-11H,1-2H2,(H5,6,7,8,9,12)
C5H12N4O3176.17381100
1234

Advertisement