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 38 results

Search term: HNDVDQJCIGZPNO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6038


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
C6H9N3O2155.15461651281294744242
752


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
C6H9N3O2155.154614616564292984242
64237

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
C6H9N3O2155.154613214710939
24532630

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D
C6H6D3N3O2158.173101700
119253

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i6+2
C514CH9N3O2157.14718700
49071428

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i7+1
C6H9N215NO2156.1487500
31047873

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i2T,3T
C6H7T2N3O2159.17086600
8436816

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i8+1,9+1
C6H9N15N2O2157.14146400
8488696

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i6+1
C513CH9N3O2156.14726400
17344836

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i7+1,8+1,9+1
C6H915N3O2158.13486500
2885386

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1
C6H9N3O2155.154565800
34980987

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i5+2
C514CH9N3O2157.14715400
4450698

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
C6H9N3O2155.154564600
4574342

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1
C6H8N3O2154.14724175471
49073071

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
13C6H9N215NO2162.10393200
49073079

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i7+1
C6H9N215NO2156.1483200
58782739

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
13C6H915N3O2164.09073300
4415200

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2
C6H10N3O2156.16253400
4450297

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1
C6H9N3O2155.154563300
17345081

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
13C6H915N3O2164.09073200
12

Advertisement