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: WACLJMMBCDNRJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2300952

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6+,7+/m0/s1
C10H12N4O3S268.29228282900
3469913

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)
C10H12N4O3S268.29228121000
62398185

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6+,7-/m1/s1
C10H12N4O3S268.29232200
62655123

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6-,7-/m0/s1
C10H12N4O3S268.29232200
21218898

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/p-1/t5-,6+,7+/m1/s1
C10H11N4O3S267.28491100
35518710

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6-,7-/m1/s1
C10H12N4O3S268.29231200

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