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 11 results

Search term: VFXXTYGQYWRHJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83896

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+
C12H16N4O4280.2798891581536
21159683

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)
C12H16N4O4280.279811800
5414387

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+/t11-,12+
C12H16N4O4280.27987300
5414389

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+/t11-,12-/m0/s1
C12H16N4O4280.27985300
5414391

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+/t11-,12-/m1/s1
C12H16N4O4280.27983100
18635171

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15-
C12H16N4O4280.27981100
5414390

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/p-2/b16-15+/t11-,12-/m1/s1
C12H14N4O4278.26511100
5414388

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/p-2/b16-15+/t11-,12-/m0/s1
C12H14N4O4278.26511100
5414386

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/p-2/b16-15+/t11-,12+
C12H14N4O4278.26511100

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