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: YTRHYUONMMQKRB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12276179

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27N5O2/c1-3-14(2)27-19(23)16(21(28)24-15-9-5-4-6-10-15)13-17-20(27)25-18-11-7-8-12-26(18)22(17)29/h7-8,11-15,23H,3-6,9-10H2,1-2H3,(H,24,28)
C22H27N5O2393.4821161400
2403598

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27N5O2/c1-3-14(2)27-19(23)16(21(28)24-15-9-5-4-6-10-15)13-17-20(27)25-18-11-7-8-12-26(18)22(17)29/h7-8,11-15,23H,3-6,9-10H2,1-2H3,(H,24,28)/b23-19+
C22H27N5O2393.48214200
5335165

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O2/c1-3-14(2)27-19(23)16(21(28)24-15-9-5-4-6-10-15)13-17-20(27)25-18-11-7-8-12-26(18)22(17)29/h7-8,11-15,23H,3-6,9-10H2,1-2H3,(H,24,28)/p+1/t14-/m1/s1
C22H28N5O2394.48952100
5335166

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O2/c1-3-14(2)27-19(23)16(21(28)24-15-9-5-4-6-10-15)13-17-20(27)25-18-11-7-8-12-26(18)22(17)29/h7-8,11-15,23H,3-6,9-10H2,1-2H3,(H,24,28)/p+1/t14-/m0/s1
C22H28N5O2394.48952100

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