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: MGJNINDWRXYHBA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2338588

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H16N2O6/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t11-/m0/s1
C14H16N2O6308.2866481700
23254799

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H16N2O6/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)
C14H16N2O6308.28666800
24964624

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H16N2O6/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t11-/m1/s1
C14H16N2O6308.28661100
128919498

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H16N2O6/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t11-/m0/s1/i6+1,7+1,11+1,12+1,14+1
C913C5H16N2O6313.24991200
20099976

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H16N2O6/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/p-2
C14H14N2O6306.27191170

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