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 8 results

Search term: GEPYEWPQCQPUJN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
78517

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7-/m1/s1
C8H11N3O6245.1894151210
234629

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2
C8H11N3O6245.189491200
90977

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7+/m1/s1
C8H11N3O6245.18948600
58134175

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6+,7+/m1/s1
C8H11N3O6245.18948600
9966102

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6+,7-/m1/s1
C8H11N3O6245.18946420
19972422

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7?/m1/s1
C8H11N3O6245.18944400
77499341

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5?,6?,7-/m1/s1
C8H11N3O6245.18943300
21211770

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5+,6-,7-/m0/s1
C8H11N3O6245.18941100

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