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 13 results

Search term: NKYAAYKKNSYIIW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
395505

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1
C8H13N3O4215.2065121000
26330320

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7+,8+/m0/s1
C8H13N3O4215.20654400
9381776

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i2D2
C8H11D2N3O4217.21882200
9393237

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i2+1
C713CH13N3O4216.19922200
9485424

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i9+1
C8H13N215NO4216.19992200
9542824

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i8D
C8H12DN3O4216.21272200
9576546

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i7+1
C713CH13N3O4216.19922200
9576548

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i4D
C8H12DN3O4216.21272200
9610740

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i6D
C8H12DN3O4216.21272200
9633420

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1/i7D
C8H12DN3O4216.21272200
9965260

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8+/m1/s1
C8H13N3O4215.20652100
76963363

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/p+1/t4-,6-,7-,8-/m1/s1
C8H14N3O4216.21391200
128947620

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8?/m1/s1
C8H13N3O4215.20651100

Advertisement