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: QAOLEQUBYVTGKF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2363958

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
C9H11NO4197.18794402900
657968

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
C9H11NO4197.187944300
43277639

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1
C9H11NO4197.18792200
2856469

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/p-1
C9H10NO4196.181100
5310908

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/p-1/t7-/m0/s1
C9H10NO4196.181100

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