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 5 results

Search term: ATXWWQXGHKYBJB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4094912

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)
C12H14N4O3262.26456292100
1174454

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/t11-/m1/s1
C12H14N4O3262.26462100
1174455

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/t11-/m0/s1
C12H14N4O3262.26462100
5353736

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/p-1/t11-/m1/s1
C12H13N4O3261.25721100
5353737

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/p-1/t11-/m0/s1
C12H13N4O3261.25721100

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