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 4 results

Search term: XMHMNTODNCVQMP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11969335

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22N6O2/c1-3-14(2)28-19(23)16(21(29)25-13-15-7-6-9-24-12-15)11-17-20(28)26-18-8-4-5-10-27(18)22(17)30/h4-12,14,23H,3,13H2,1-2H3,(H,25,29)
C22H22N6O2402.4491181200
2403596

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22N6O2/c1-3-14(2)28-19(23)16(21(29)25-13-15-7-6-9-24-12-15)11-17-20(28)26-18-8-4-5-10-27(18)22(17)30/h4-12,14,23H,3,13H2,1-2H3,(H,25,29)/b23-19+
C22H22N6O2402.44915300
5335161

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N6O2/c1-3-14(2)28-19(23)16(21(29)25-13-15-7-6-9-24-12-15)11-17-20(28)26-18-8-4-5-10-27(18)22(17)30/h4-12,14,23H,3,13H2,1-2H3,(H,25,29)/p+1/t14-/m1/s1
C22H23N6O2403.45652100
5335162

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H22N6O2/c1-3-14(2)28-19(23)16(21(29)25-13-15-7-6-9-24-12-15)11-17-20(28)26-18-8-4-5-10-27(18)22(17)30/h4-12,14,23H,3,13H2,1-2H3,(H,25,29)/p+1/t14-/m0/s1
C22H23N6O2403.45652100

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