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: POLGZPYHEPOBFG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
260168

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)
C13H17NO3235.279896604
746275

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
C13H17NO3235.2794640422
746276

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1
C13H17NO3235.279121100
8281144

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1/i8D,9D,11D/t8-,11-
C13H14D3NO3238.29752100
5323897

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1
C13H16NO3234.271041100
5323898

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m1/s1
C13H16NO3234.271041100

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