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 8 results

Search term: GOTYRUGSSMKFNF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
187515


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
C13H13N3O3259.260616021110232
21240043

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1
C13H13N3O3259.2606322900
28565617

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i4+1,5+1,10+1,11+1,12+1
C813C5H13N3O3264.2239171600
24726515

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m1/s1
C13H13N3O3259.2606131200
64858340

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i4D2,5D2,10D
C13H8D5N3O3264.29148800
58782660

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i5D2,6D2,10D
C13H8D5N3O3264.29142400
81367536

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1/i4D2,5D2,10D
C13H8D5N3O3264.29141100
103869179

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i5D2,10D
C13H10D3N3O3262.27911100

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