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 3 results

Search term: SMPDCQOJQBMOAB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28823247

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H18N4O2S2/c18-10(16-13-14-5-6-20-13)4-2-1-3-9-11-8(7-21-9)15-12(19)17-11/h5-6,8-9,11H,1-4,7H2,(H,14,16,18)(H2,15,17,19)/t8-,9-,11-/m0/s1
C13H18N4O2S2326.437611800
29433135

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H18N4O2S2/c18-10(16-13-14-5-6-20-13)4-2-1-3-9-11-8(7-21-9)15-12(19)17-11/h5-6,8-9,11H,1-4,7H2,(H,14,16,18)(H2,15,17,19)
C13H18N4O2S2326.43764400
114767032

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H18N4O2S2/c18-10(16-13-14-5-6-20-13)4-2-1-3-9-11-8(7-21-9)15-12(19)17-11/h5-6,8-9,11H,1-4,7H2,(H,14,16,18)(H2,15,17,19)/t8-,9?,11-/m0/s1
C13H18N4O2S2326.43761100

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