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 6 results

Search term: NTUMBFHGMUZUBG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2132630

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)
C13H17N3O2247.29298473500
12522431

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9-,10+,12+,13-
C13H17N3O2247.293171200
1028292

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9-,10+,12?,13?
C13H17N3O2247.2933100
64859990

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9?,10?,12-,13+
C13H17N3O2247.2931100
129154627

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/t9-,10?,12+,13-/m1/s1
C13H17N3O2247.2931100
5345237

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/p-1/t9-,10+,12?,13?
C13H16N3O2246.28561100

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