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: FIITXXIVUIXYMI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
144199

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m1/s1
C8H13N3O6247.2053182200
8057036

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2
C8H13N3O6247.2053162800
552171

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m0/s1
C8H13N3O6247.205310800
8306630

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7-/m0/s1
C8H13N3O6247.20532100
17349607

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7?/m0/s1
C8H13N3O6247.20531100
17349608

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7?/m1/s1
C8H13N3O6247.20531100
21211127

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/p+1/t6-,7+/m1/s1
C8H14N3O6248.21271100
110803766

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6?,7-/m0/s1
C8H13N3O6247.20531100

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