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 4 results

Search term: GBKMCUTZIIKOCB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
397605

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N6O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3,10H2,(H,12,17,18)/t5-,6+,7+/m0/s1
C9H12N6O4268.22946500
25048173

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12N6O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3,10H2,(H,12,17,18)/t5-,6-,7?/m1/s1
C9H12N6O4268.22942200
28681373

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H12N6O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3,10H2,(H,12,17,18)
C9H12N6O4268.22942100
57522605

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N6O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3,10H2,(H,12,17,18)/t5-,6+,7+/m1/s1
C9H12N6O4268.22941100

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