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 10 results

Search term: NIJSNUNKSPLDTO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2276182

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8+,9+/m0/s1
C11H14N4O3250.25386444500
28475124

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8+,9-/m0/s1
C11H14N4O3250.2539261900
2277461

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8-,9-/m1/s1
C11H14N4O3250.253869900
111041

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8+,9?/m0/s1
C11H14N4O3250.25397800
4980666

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8+,9+/m1/s1
C11H14N4O3250.25394300
10440041

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)
C11H14N4O3250.25392100
23130863

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7?,8-,9-/m1/s1
C11H14N4O3250.25391100
114394373

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8-,9-/m1/s1/i2T
C11H13TN4O3252.2621100
128924953

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t7-,8-,9+/m1/s1
C11H14N4O3250.25391100

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