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 5 results

Search term: PPKAGOAFAMLFQB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460152

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13N5O2/c17-11(18)7-2-1-3-16(4-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)
C11H13N5O2247.2532353000
6327022

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13N5O2/c17-11(18)7-2-1-3-16(4-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)/t7-/m0/s1
C11H13N5O2247.25324300
6327024

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13N5O2/c17-11(18)7-2-1-3-16(4-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)/t7-/m1/s1
C11H13N5O2247.25323200
6327021

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13N5O2/c17-11(18)7-2-1-3-16(4-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)/p-1/t7-/m0/s1
C11H12N5O2246.24581100
6327023

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13N5O2/c17-11(18)7-2-1-3-16(4-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)/p-1/t7-/m1/s1
C11H12N5O2246.24581100

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