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 6 results

Search term: PVOOBRUZWPQOER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62055

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3
C12H19NO2209.2848406300
580909

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/t11-/m1/s1
C12H19NO2209.28487600
5022936

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/t11-/m0/s1
C12H19NO2209.28486500
58782735

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/i1D3,2D3
C12H13D6NO2215.32175500
5294218

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/p+1/t11-/m1/s1
C12H20NO2210.29271100
5364964

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/p+1/t11-/m0/s1
C12H20NO2210.29221100

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