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 9 results

Search term: KGVHCTWYMPWEGN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
79464

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1
C8H16N2O3188.22427965710
227861

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
C8H16N2O3188.2242282929641
19972556

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,7-/m0/s1
C8H16N2O3188.224275710
23180365

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7+/m1/s1
C8H16N2O3188.224222710
68027680

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7?/m1/s1
C8H16N2O3188.22421100
78221573

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,7-/m1/s1
C8H16N2O3188.22421100
110457328

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m1/s1
C8H16N2O3188.22421100
110457336

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7+/m0/s1
C8H16N2O3188.22421100

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