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 33 results

Search term: ODKSFYDXXFIFQN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6082


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
C6H14N4O2174.201180534718543030
227


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
C6H14N4O2174.20114325860715172696
64224

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1
C6H14N4O2174.2011351143215117
1266045

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
C6H15N4O2175.20849800
3671407

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1
C6H15N4O2175.20894700
4574288

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1
C6H13N4O2173.193643500
5289577

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1/i3T/t3?,4-
C6H13TN4O2176.2090693200
7969763

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/i7+1
C6H14N315NO2175.19443200
9496211

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1/i3+1
C513CH14N4O2175.19363100
17345037

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1/i7+1,8+1,9+1,10+1
C6H1415N4O2178.17463200
4574285

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1
C6H13N4O2173.19363310
1266071

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
C6H15N4O2175.20843200
392311

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1
C6H16N4O2176.21573300
4574286

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m1/s1
C6H16N4O2176.21572200
4574287

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m1/s1
C6H13N4O2173.19362200
4425349

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2
C6H16N4O2176.216842200
57267801

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1/i6+2
C514CH14N4O2176.19352100
57267804

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1/i5+2
C514CH14N4O2176.19352100
7991119

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/i8+1
C6H14N315NO2175.19442100
8488804

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/i5+1
C513CH14N4O2175.19362100
12

Advertisement