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: CTQHHKCTNDZTQH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2255555

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)
C13H16N2O3248.27774513600
827731

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)/t11-/m1/s1
C13H16N2O3248.27773200
827730

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)/t11-/m0/s1
C13H16N2O3248.27772100
5328927

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)/p+1/t11-/m0/s1
C13H17N2O3249.285681100
5328928

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)/p+1/t11-/m1/s1
C13H17N2O3249.285681100

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